(12-methylbenzo[a]anthracen-7-yl)methanol

(12-methylbenzo[a]anthracen-7-yl)methanol 基本信息
CAS号 568-75-2 分子式 C20H16O
分子量 272.34000 精确质量 　272.12000
PSA 　20.23000 LogP 　4.94690
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
568-75-2
3D弹球模型：
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分子式：
C20H16O
分子量：
272.34000
英文名称：
(12-methylbenzo[a]anthracen-7-yl)methanol
英文别名：
(12-methylbenzo[a]anthracen-7-yl)methanol;
BENZ(a)ANTHRACENE-7-METHANOL,12-METHYL;
[3H]-7-Hydroxymethyl-12-methylbenz[a]anthracene;
7-Hydroxymethyl-12-methylbenzanthracen;
12-Hydroxymethyl-7-methylbenzanthracen;
7-Hydroxymethyl-12-Dimethylbenzoanthracene;
7-(Hydroxymethyl)-12-methylbenz(a)anthracene;
12-Methylbenz[a]anthracene-7-methanol
精确分子量/精确质量：
272.12000
极性分子表面积/PSA：
20.23000
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。
InChI：
The Key: JCBBZYDVQJQMMB-UHFFFAOYSA-N

物化性质展开↓

密度：
1.227g/cm3
沸点：
523.8ºC at 760 mmHg
闪点：
225.9ºC
折射率：
1.757

合成路线查看所有的合成路线

  • 57-97-6

    7,12-二甲基苯并[a]蒽

  • →

  • 568-75-2

    (12-methylbenzo[a]anthracen-7-yl)methanol

  • +

  • 2518-01-6

    Dmba endoperoxide

  • 27018-50-4

    7-(iodomethyl)-12-methylbenzo[a]anthracene

  • →

  • 568-75-2

    (12-methylbenzo[a]anthracen-7-yl)methanol

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CW8750000
CHEMICAL NAME :
Benz(a)anthracene-7-methanol, 12-methyl-
CAS REGISTRY NUMBER :
568-75-2
LAST UPDATED :
199709
DATA ITEMS CITED :
26
MOLECULAR FORMULA :
C20-H16-O
MOLECULAR WEIGHT :
272.36
WISWESSER LINE NOTATION :
L D6 B666J C1 J1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
73 mg/kg
TOXIC EFFECTS :
Blood - normocytic anemia Blood - granulocytopenia Blood - leukopenia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg/39D-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - increased incidence of tumors in susceptible strains
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
16 mg/kg/17W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg/10W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
25 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
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 :
Intravenous
DOSE :
25 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
25 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - endocrine system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
25 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
25 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) Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
DNA damage
TYPE OF TEST :
DNA adduct

MUTATION DATA

TYPE OF TEST :
DNA adduct
TEST SYSTEM :
Mammal - species unspecified Lymphocyte
DOSE/DURATION :
50 gm/L
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 22,345,1978

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