2-甲基-6-亚甲基-2-辛基乙酸酯
- 中文名称：
- 2-甲基-6-亚甲基-2-辛基乙酸酯
- 中文别名：
- 2-甲基-6-亚甲基-2-辛基乙酸酯
- 英文名称：
- Dihydromyrcenyl acetate
- 英文别名：
- (2-methyl-6-methylideneoctyl) acetate;
2-Acetoxy-2-methyl-6-methylen-octan;
2-methyl-6-methylene-2-octyl acetate;
3-Methylene-7-methyloctan-7-yl acetate;
EINECS 289-458-2
- CAS No.：
- 88969-41-9
- 分 子 式：
-
C12H22O2
- 分 子 量：
- 198.30188
- 精确分子量：
- 198.16200
- PSA：
- 26.30000
- InChI：
- The Key: VHVRYMDFTKNLFA-UHFFFAOYSA-N3
- 分子结构式：
-
- SDS：
- 查看
2-甲基-6-亚甲基-2-辛基乙酸酯 物化性质
- 密度：
- 0.879 g/cm3
- 沸点：
- 256.4ºC at 760 mmHg
- 闪点：
- 86.8ºC
- 折射率：
- 1.436
2-甲基-6-亚甲基-2-辛基乙酸酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RH1410000
- CHEMICAL NAME :
- 2-Octanol, 2-methyl-6-methylene-, acetate (ester)
- CAS REGISTRY NUMBER :
- 88969-41-9
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H22-O2
- MOLECULAR WEIGHT :
- 198.34
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year:
21,847,1983
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year:
21,847,1983
** 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 :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year:
21,847,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year:
21,847,1983
2-甲基-6-亚甲基-2-辛基乙酸酯 海关数据
中国海关编码：2915390090
- 概述：
- 2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 监管条件：
- A.入境货物通关单B.出境货物通关单
- 检验检疫：
- R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
- 摘要/Summary：
- 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%
2-甲基-6-亚甲基-2-辛基乙酸酯 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:4
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:8
5.互变异构体数量:无
6.拓扑分子极性表面积:26.3
7.重原子数量:14
8.表面电荷:0
9.复杂度:185
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:1
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
