trioctan-2-yl borate

trioctan-2-yl borate 基本信息
CAS号 24848-81-5 分子式 C24H51BO3
分子量 398.47100 精确质量  398.39300
PSA  27.69000 LogP  8.09780

基本信息 展开↓

CAS号:
24848-81-5
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分子式:
C24H51BO3
分子量:
398.47100
英文名称:
trioctan-2-yl borate
英文别名:
trioctan-2-yl borate;
BORIC ACID,TRIS(1-METHYLHEPTYL) ESTER;
2-octyl borate;
2-Octanol,borate;
Tri-sec-octylborat;
opt.-inakt. Borsaeure-tris-(1-methyl-heptylester);
2-Octanol,triester with boric acid (H3BO3);
Borsaeure-tris-<1-methyl-heptylester>;
Tri-2-octyl borate;
optically inactive boric acid tris-(1-methyl-heptyl ester);
B(O-2-C8H17)3
精确分子量/精确质量:
398.39300
极性分子表面积/PSA:
27.69000
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: CNZRYPUWXCLTAW-UHFFFAOYSA-N

物化性质展开↓

密度:
0.853g/cm3
沸点:
361.3ºC at 760mmHg
闪点:
121.8ºC
折射率:
1.434
蒸汽压:
4.35E-05mmHg at 25°C

合成路线查看所有的合成路线

  • 4128-31-8

    仲辛醇

  • 24848-81-5

    trioctan-2-yl borate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ED5960000
CHEMICAL NAME :
Boric acid, tris(1-methylheptyl) ester
CAS REGISTRY NUMBER :
24848-81-5
BEILSTEIN REFERENCE NO. :
1727960
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C24-H51-B-O3
MOLECULAR WEIGHT :
398.56
WISWESSER LINE NOTATION :
6Y1&OBOY6&1&OY6&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
542 mg/kg
TOXIC EFFECTS :
Behavioral - irritability Gastrointestinal - hypermotility, diarrhea Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 4,358,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
174 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - conjunctive irritation Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 4,358,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964

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