2-Methyl-3-penten-2-ol

2-Methyl-3-penten-2-ol 基本信息
CAS号 63468-05-3 分子式 C6H12O
分子量 100.15900 精确质量  100.08900
PSA  20.23000 LogP  1.33340

等价的CAS号:

63468-05-3,71195-14-7,71195-16-9

基本信息 展开↓

CAS号:
63468-05-3
3D弹球模型:
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分子式:
C6H12O
分子量:
100.15900
英文名称:
2-Methyl-3-penten-2-ol
英文别名:
2-Methyl-3-penten-2-ol;
2-methyl-pent-3-en-2-ol;
1.1.3.3-Tetrabromo-2-propanol;
2-Propanol,1,1,3,3-tetrabromo;
1,1,3,3-tetrabromo-propan-2-ol;
1.1.3-Trimethylallylalkohol;
1.1.3-trimethylallyl alcohol;
1,1,3,3-Tetrabrom-2-propanol;
Dimethyl-propenyl-carbinol
精确分子量/精确质量:
100.08900
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: OWVUFBAJXKEVBE-UHFFFAOYSA-N

物化性质展开↓

密度:
0.843g/cm3
沸点:
112ºC at 760 mmHg
闪点:
24.2ºC
折射率:
1.441

合成路线查看所有的合成路线

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB3675000
CHEMICAL NAME :
2-Penten-4-ol, 4-methyl-
CAS REGISTRY NUMBER :
63468-05-3
LAST UPDATED :
199012
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H12-O
MOLECULAR WEIGHT :
100.18
WISWESSER LINE NOTATION :
QX1&1&1U2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1940 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4390 ppm/1H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961

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