白消安

白消安 基本信息
CAS号 55-98-1 分子式 C6H14O6S2
分子量 246.30200 精确质量 　246.02300
PSA 　103.50000 LogP 　1.88060
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
55-98-1
3D弹球模型：
立即前往扯扯看
分子式：
C6H14O6S2
分子量：
246.30200
中文名称：
白消安
英文名称：
busulfan
中文别名：
白消安;
二甲磺酸-1,4-丁二醇;
二甲磺酸丁酯;
1，4-双甲基磺氧基丁烷;
不育磺;
1,4-丁二醇二甲烷磺酸盐
英文别名：
busulfan;
busulphan;
Mitostan;
4-methylsulfonyloxybutyl methanesulfonate;
Myelosan;
tetramethylene di(methanesulfonate);
Mielucin;
Myleran;
Myeloleukon;
Busulphan;
Mylecytan;
1,4-butanediyl dimethanesulfonate;
Misulban;
butane-1,4-diyl di(methanesulfonate);
Leucosulfan
精确分子量/精确质量：
246.02300
极性分子表面积/PSA：
103.50000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00007562
EINECS：
200-250-2
BRN：
1791786
InChI：
InChI=1/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3

生产制备方法及用途展开↓

制备方法

1.由甲基磺酰氯与1,4-丁二醇缩合而得。 2.制法: 于装有搅拌器、温度计、滴液漏斗的反应瓶中,加入1,4-丁二醇(2)13g(0.144mol),吡啶130g,冷却至0℃,搅拌下慢慢滴加甲基磺酰氯40g(0.35mol)。加完后继续搅拌反应2h。抽滤析出的结晶,以少量蒸馏水洗涤,干燥,得白色结晶1,4-双(甲基磺酰氯)丁烷(1)34g,mp113～116℃,收率95.8%。

合成制备方法

1.由甲基磺酰氯与1,4-丁二醇缩合而得。

2.制法：

于装有搅拌器、温度计、滴液漏斗的反应瓶中，加入1,4-丁二醇（2）13g（0.144mol），吡啶130g，冷却至0℃，搅拌下慢慢滴加甲基磺酰氯40g（0.35mol）。加完后继续搅拌反应2h。抽滤析出的结晶，以少量蒸馏水洗涤，干燥，得白色结晶1,4-双（甲基磺酰氯）丁烷（1）34g，mp113～116℃，收率95.8%。[1]

用途简介

抗肿瘤药。该品为细胞周期非特异性药物,主要用于G1期和M期。该品低剂量抑制骨髓粒细胞的生成,对红细胞和淋巴细胞几乎无影响。大剂量时对红细胞和淋巴细胞几乎无影响。大剂量时对红细胞和淋巴细胞的生成起抑制作用。由于选择性作用,对慢性粒细胞白血病疗效显著。白消安为目前治疗慢性粒细胞白血病的主要药物,其缓解率可达80-90%。但一旦发生急性变时应停药。

用途

抗肿瘤药。该品为细胞周期非特异性药物，主要用于G1期和M期。该品低剂量抑制骨髓粒细胞的生成，对红细胞和淋巴细胞几乎无影响。大剂量时对红细胞和淋巴细胞几乎无影响。大剂量时对红细胞和淋巴细胞的生成起抑制作用。由于选择性作用，对慢性粒细胞白血病疗效显著。白消安为目前治疗慢性粒细胞白血病的主要药物，其缓解率可达80-90%。但一旦发生急性变时应停药。

物化性质展开↓

外观与性状：
白色结晶。
密度：
1.35 g/cm3
熔点：
114-117 °C(lit.)
沸点：
464ºC at 760 mmHg
水溶解性：
Decomposes
其它信息：

1.性状：白色结晶性粉末。

2.熔点（℃）：119。

3.溶解性：不溶于水，但可以缓慢溶解，同时发生水解作用。在25℃丙酮中溶解度为2.4g/100ml，在乙醇中溶解度0.1g/100ml，几乎无臭。

安全信息展开↓

包装等级：
III
风险类别：
6.1(b)
海关代码：
2942000000
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R23/24/25;R36/37/38;R45;R46;R63
安全说明：
S53-S36/37/39-S45-S28A
RTECS号：
EK1750000
安全标志：
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S53:避免暴露——使用前先阅读专门的说明。
:
危险标志：
T:Toxic

合成路线查看所有的合成路线

  • 110-63-4

    1,4-丁二醇

  • +

  • 124-63-0

    甲烷磺酰氯

  • →

    ~86%

  • 55-98-1

    白消安

  • 110-63-4

    1,4-丁二醇

  • +

  • 7143-01-3

    甲基磺酸酐

  • →

  • 55-98-1

    白消安

  • 40671-33-8

    1-bromo-4-methanesulfonyloxy-butane

  • +

  • 2386-52-9

    甲烷磺酸银

  • →

  • 55-98-1

    白消安

化学图谱

  1. 白消安红外图谱(IR1)

  2. 白消安红外图谱(IR2)

  3. 白消安质谱(MS)

  4. 白消安核磁图(13CNMR)

  5. 白消安核磁图(1HNMR)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK1750000
CHEMICAL NAME :
1,4-Butanediol, dimethanesulfonate
CAS REGISTRY NUMBER :
55-98-1
BEILSTEIN REFERENCE NO. :
1791786
LAST UPDATED :
199710
DATA ITEMS CITED :
139
MOLECULAR FORMULA :
C6-H14-O6-S2
MOLECULAR WEIGHT :
246.32
WISWESSER LINE NOTATION :
WS1&O4OSW1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
80 mg/kg/8Y
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Vascular - regional or general arteriolar or venous dilation Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
8 mg/kg/2D-I
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in bone marrow (not otherwise specified) Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
22 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
86 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
63 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
46 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Blood - leukopenia Blood - agranulocytosis Blood - other changes
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Blood - leukopenia Blood - agranulocytosis Blood - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - wild bird species
DOSE/DURATION :
56200 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45 mg/kg/30D-I
TOXIC EFFECTS :
Endocrine - changes in thymus weight Blood - normocytic anemia Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
100 mg/kg/5D-I
TOXIC EFFECTS :
Blood - leukopenia Gastrointestinal - ulceration or bleeding from duodenum Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
5684 ug/kg/21W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
48 mg/kg/42D-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Blood - leukemia Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1200 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
70 mg/kg/6W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - aplastic anemia Blood - leukemia
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
1140 mg/kg/9Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors Reproductive - Tumorigenic effects - other reproductive system tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
16720 ug/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
17 mg/kg
SEX/DURATION :
female 4-36 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - endocrine system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
17 mg/kg
SEX/DURATION :
female 4-36 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Specific Developmental Abnormalities - other developmental abnormalities Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5400 ug/kg
SEX/DURATION :
male 90 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - breast development
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
8460 ug/kg
SEX/DURATION :
female 22 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
5280 ug/kg
SEX/DURATION :
female 14-26 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - gastrointestinal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
4400 ug/kg
SEX/DURATION :
female 4 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - delayed effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
48 mg/kg
SEX/DURATION :
female 7-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5600 ug/kg
SEX/DURATION :
female 7-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
8 mg/kg
SEX/DURATION :
female 11-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
49 mg/kg
SEX/DURATION :
male 49 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
6 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
female 2 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - other measures of fertility Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
female 15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - delayed effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
6 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
20 mg/kg
SEX/DURATION :
female 20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
10 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
10 mg/kg
SEX/DURATION :
female 14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 mg/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
40 mg/kg
SEX/DURATION :
female 6-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
240 mg/kg
SEX/DURATION :
female 6-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
160 mg/kg
SEX/DURATION :
female 10-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
200 mg/kg
SEX/DURATION :
female 8-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
20 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
30 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
30 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
25 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
female 18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - delayed effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
32 mg/kg
SEX/DURATION :
female 7-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - hepatobiliary system Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
40 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
8 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
TYPE OF TEST :
Specific locus test
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Heritable translocation test
TYPE OF TEST :
Mutation test systems - not otherwise specified
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Sperm Morphology
TYPE OF TEST :
Sperm Morphology
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Sister chromatid exchange
TYPE OF TEST :
DNA damage
TYPE OF TEST :
DNA damage
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
Dominant lethal test
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Specific locus test
TYPE OF TEST :
DNA damage
TYPE OF TEST :
Unscheduled DNA synthesis
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Dominant lethal test
TYPE OF TEST :
Sperm Morphology
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Sister chromatid exchange

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
40 mg/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,577,1983 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,247,1974 IARC Cancer Review:Human Sufficient Evidence IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,137,1987 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,247,1974 IARC Cancer Review:Group 1 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,137,1987 TOXICOLOGY REVIEW EXHMA6 Experimental Hematology (New York). (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1973- Volume(issue)/page/year: 2,101,1974 TOXICOLOGY REVIEW JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 172,1765,1960 TOXICOLOGY REVIEW MIMDAL Minnesota Medicine. (Minnesota Medical Assoc., 2221 University Ave., SE, Suite 400, Minneapolis, MN 55414) V.1- 1918- Volume(issue)/page/year: 57,19,1974 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 1(1),93,1971 TOXICOLOGY REVIEW 32XPAD "Teratology," Berry, C.L., and D.E. Poswillo, eds., New York, Springer, 1975 Volume(issue)/page/year: -,49,1975 TOXICOLOGY REVIEW ARVPAX Annual Review of Pharmacology. (Palo Alto, CA) V.1-15, 1961-75. For publisher information, see ARPTDI. Volume(issue)/page/year: 5,447,1965 TOXICOLOGY REVIEW ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966 TOXICOLOGY REVIEW KMAUAI Klinische Monatsblaetter fuer Augenheilkunde. (Ferdinand Enke Verlag, POB 1304, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1863- Volume(issue)/page/year: 170,818,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4342 No. of Facilities: 74 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 1764 (estimated) No. of Female Employees: 892 (estimated)

MSDS 展开↓

第一部分：化学品名称
化学品中文名称： 1，4-双甲基磺氧基丁烷；二甲基磺酸1，4-丁二醇酯
化学品英文名称： 1，4-Bis(methyl sulfonoxy)butane；1，4-Butanediol dimethyl sulfonate
中文俗名或商品名：
Synonyms：
CAS No.： 55-98-1
分子式： C6H14O6S2
分子量： 246.32
第二部分：成分/组成信息
             纯化学品   混合物
             化学品名称：1，4-双甲基磺氧基丁烷；二甲基磺酸1，4-丁二醇酯
有害物成分 含量 CAS No.
第三部分：危险性概述
危险性类别：
侵入途径： 吸入 食入 经皮吸收
健康危害： 吸入、摄入或经皮肤吸收后会引起严重中毒。可能有刺激作用。动物实验表明，长时间接触，可引起生殖系统功能紊乱。
环境危害：
燃爆危险：
第四部分：急救措施
皮肤接触： 用肥皂水及清水彻底冲洗。就医。
眼睛接触： 拉开眼睑，用流动清水冲洗15分钟。就医。
吸入： 脱离现场至空气新鲜处。就医。
食入： 误服者，饮适量温水，催吐。就医。
第五部分：消防措施
危险特性： 遇明火、高热可燃。受高热分解，放出有毒的烟气。
有害燃烧产物：
灭火方法及灭火剂： 雾状水、抗溶性泡沫、二氧化碳、干粉。
消防员的个体防护：
禁止使用的灭火剂：
闪点(℃)：
自燃温度(℃)：
爆炸下限[%(V/V)]：
爆炸上限[%(V/V)]：
最小点火能(mJ)：
爆燃点：
爆速：
最大燃爆压力(MPa)：
建规火险分级：
第六部分：泄漏应急处理
应急处理： 隔离泄漏污染区，周围设警告标志，建议应急处理人员戴自给式呼吸器，穿化学防护服。小心扫起，避免扬尘，运至废物处理场所。用水刷洗泄漏污染区，经稀释的污水放入废水系统。如大量泄漏，收集回收或无害处理后废弃。
第七部分：操作处置与储存
操作注意事项：
储存注意事项：
第八部分：接触控制/个体防护
最高容许浓度： 中 国 MAC：未制订标准前苏联 MAC：未制订标准美国TLV—TWA：未制订标准
监测方法：
工程控制： 生产过程密闭，加强通风。
呼吸系统防护： 佩戴防毒口罩。紧急事态抢救或逃生时，应该佩戴自给式呼吸器。
眼睛防护： 必要时戴化学安全防护眼镜。
身体防护： 穿相应的防护服。
手防护： 戴防化学品手套。
其他防护： 工作现场禁止吸烟、进食和饮水。工作后，淋浴更衣。保持良好的卫生习惯。避免长期反复接触。
第九部分：理化特性
外观与性状： 白色结晶。
pH：
熔点(℃)： 114～118
沸点(℃)：
相对密度(水=1)：
相对蒸气密度(空气=1)：
饱和蒸气压(kPa)：
燃烧热(kJ/mol)：
临界温度(℃)：
临界压力(MPa)：
辛醇/水分配系数的对数值：
闪点(℃)：
引燃温度(℃)：
爆炸上限%(V/V)：
爆炸下限%(V/V)：
分子式： C6H14O6S2
分子量： 246.32
蒸发速率：
粘性：
溶解性： 不溶于水，微溶于丙酮、乙醇。
主要用途： 用作有机合成反应中的强烷基化剂和慢性白血病的治疗药物。
第十部分：稳定性和反应活性
稳定性： 在常温常压下 稳定
禁配物： 强氧化剂、水、潮湿空气。
避免接触的条件： 接触潮气可分解。
聚合危害： 不能出现
分解产物： 一氧化碳、二氧化碳、氧化硫。
第十一部分：毒理学资料
急性毒性： LD50：110mg／kg(小鼠经口) LC50：
急性中毒：
慢性中毒：
亚急性和慢性毒性：
刺激性：
致敏性：
致突变性：
致畸性：
致癌性：
第十二部分：生态学资料
生态毒理毒性：
生物降解性：
非生物降解性：
生物富集或生物积累性：
第十三部分：废弃处置
废弃物性质：
废弃处置方法：
废弃注意事项：
第十四部分：运输信息
危险货物编号：
UN编号：
包装标志：
包装类别：
包装方法：
运输注意事项： 储存于阴凉、干燥、通风良好的库房。远离火种、热源。专人保管。保持容器密封。防止受潮和雨淋。应与氧化剂、食用化工原料、潮湿物品等分开存放。操作现场不得吸烟、饮水、进食。搬运时要轻装轻卸，防止包装及容器损
RETCS号：
IMDG规则页码：
第十五部分：法规信息
国内化学品安全管理法规：
国际化学品安全管理法规：
第十六部分：其他信息
参考文献： 1.周国泰，化学危险品安全技术全书，化学工业出版社，1997 2.国家环保局有毒化学品管理办公室、北京化工研究院合编，化学品毒性法规环境数据手册，中国环境科学出版社.1992 3.Canadian Centre for Occupational Health and Safety,CHEMINFO Database.1998 4.Canadian Centre for Occupational Health and Safety, RTECS Database, 1989
填表时间： 年月日
填表部门：
数据审核单位：
修改说明：
其他信息： 6
MSDS修改日期： 年月日

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：50.94

2、  摩尔体积（cm3/mol）：182.3

3、  等张比容（90.2K）：476.5

4、  表面张力（dyne/cm）：46.6

5、  极化率（10-24cm3）：20.19

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积104

7.重原子数量:14

8.表面电荷:0

9.复杂度:294

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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