异戊酸龙脑酯
- 中文名称:
- 异戊酸龙脑酯
- 中文别名:
- 异戊酸龙脑酯;
(1S,4R,6R)-1,7,7-三甲基二环[2.2.1]庚-2-基 3-甲基丁酸酯;
内型-3-甲基丁酸-1,7,7-三甲基二环[2.2.1]庚-2-基酯
- 英文名称:
- Butanoic acid,3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
- 英文别名:
- Bornyl isovalerate;
BORNYL ISOPENTANOATE;
Hysterol;
BORNEOL ISOVALERATE;
Bornyl-isovalerat;
endo-Bornylisovalerat;
Bornyval;
endo-bornyl isovalerate
- CAS No.:
- 76-50-6
- 分 子 式:
-
C15H26O2
- 分 子 量:
- 238.37
- 精确分子量:
- 238.19300
- PSA:
- 26.30000
- MDL:
- MFCD00053464
- EINECS:
- 200-966-5
- InChI:
- The Key: MPYYVGIJHREDBO-LALPHHSUSA-N3
- 分子结构式:
-
- SDS:
- 查看
异戊酸龙脑酯 物化性质
- 外观与性状:
- 无色淡黄色液体
- 密度:
- 0.949
- 沸点:
- 255-260ºC
- 闪点:
- >110ºC
- 折射率:
- 1.46
- 其它信息:
1.沸点(℃):255-260。
2.折射率:1.46 .
3.闪点(℃):110。
4.密度:0.949。
5.比旋光度:-32.5o(NEAT)。
异戊酸龙脑酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EK7902550
- CHEMICAL NAME :
- Butanoic acid, 3-methyl-,
1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-
- CAS REGISTRY NUMBER :
- 76-50-6
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C15-H26-O2
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 :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For
publisher information, see FCTOD7. Volume(issue)/page/year: 12,831,1974
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil,
France) V.1- 1943- Volume(issue)/page/year: 14,710,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For
publisher information, see FCTOD7. Volume(issue)/page/year: 12,831,1974
异戊酸龙脑酯 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:69.21
2、 摩尔体积(cm3/mol):244.3
3、 等张比容(90.2K):583.7
4、 表面张力(dyne/cm):32.5
5、 极化率(10-24cm3):27.43