Pivalolactone.

Pivalolactone. 基本信息
CAS号 1955-45-9 分子式 C5H8O2
分子量 100.11600 精确质量  100.05200
PSA  26.30000 LogP  0.56940

基本信息 展开↓

CAS号:
1955-45-9
分子式:
C5H8O2
分子量:
100.11600
英文名称:
Pivalolactone.
英文别名:
Pivalolactone.;
3,3-dimethylpropiolactone;
Dimethyl propiolactone;
3,3-dimethyl-oxetan-2-one;
PPIVALOLACTONE;
3,3-DIMETHYL-2-OXETANONE;
2,2-Dimethyl-3-hydroxypropanoic acid lactone;
Pivalolactone
精确分子量/精确质量:
100.05200
极性分子表面积/PSA:
26.30000
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。

物化性质展开↓

密度:
1.032g/cm3
沸点:
131.6ºC at 760 mmHg
闪点:
33.7ºC
折射率:
1.427
蒸汽压:
9.21mmHg at 25°C

安全信息展开↓

海关代码:
2932209090

合成路线查看所有的合成路线

  • 78-84-2

    异丁醛

  • ~58%

  • 1955-45-9

    Pivalolactone.

  • 201230-82-2

    carbon monoxide

  • +

  • 81112-28-9

    methyl 2-methylprop-2-enyl carbonate

  • ~14%

  • 1955-45-9

    Pivalolactone.

  • 558-30-5

    甲基环氧丙烷

  • +

  • 201230-82-2

    carbon monoxide

  • ~7%

  • 1823-52-5

    4,4-二甲基噁丁环-2-酮

  • +

  • 1955-45-9

    Pivalolactone.

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RQ7525000
CHEMICAL NAME :
2-Oxetanone, 3,3-dimethyl-
CAS REGISTRY NUMBER :
1955-45-9
BEILSTEIN REFERENCE NO. :
1280648
LAST UPDATED :
199710
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C5-H8-O2
MOLECULAR WEIGHT :
100.13
WISWESSER LINE NOTATION :
T4OVTJ C1 C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1470 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 :
316 mg/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 :
216 gm/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
72 gm/kg/69W
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Serratia marcescens
DOSE/DURATION :
25 mg/L
REFERENCE :
ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74. For publisher information, see ARTODN. Volume(issue)/page/year: 30,67,1972

海关数据查看详细

中国海关编码:2932209090

概述:
2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

上下游相关产品

上游产品

更多
  • 558-30-5

    甲基环氧丙烷

  • 201230-82-2

    carbon monoxide

  • 78-84-2

    异丁醛

  • 13511-38-1

    3-氯-2,2-二甲基丙酸

  • 81112-28-9

    methyl 2-methylprop-2-enyl carbonate

下游产品

更多
  • 595-37-9

    2,2-二甲基丁酸

  • 21153-31-1

    3-(2-carboxy-2-methylpropyl)sulfanyl-2,2-dimethylpropanoic acid

  • 75-98-9

    三甲基乙酸

  • 3302-12-3

    2,2,4,4-tetramethylpentanoic acid

  • 16386-93-9

    2,2-二甲基-4-戊烯酸

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便