1,6-Dioxacycloheptadecan-7-one
- 中文别名：麝香-105; 麝香 R-1; 麝香内酯; 12-十六氧杂内酯
- 中文释义：麝香-105;麝香内酯;麝香 R-1;16-羟基-12-氧杂十六碳酸内酯;12-十六氧杂内酯
- 英文别名：1,6-Dioxacycloheptadecan-7-one;
Cervolide;
Hibiscolide;
12-Oxa-1,16-hexadecanolide;
12-Oxahexadecan-16-olide;
12-Oxahexadecanolide;
EINECS 229-755-6;
1,6-Dioxa-cycloheptadecan-7-on;
1,6-dioxa-cycloheptadecan-7-one
- CAS No.：6707-60-4
- 分子式：
C15H28O3
- 分子量：256.38
- 精确分子量：256.20400
- PSA：35.53000
- InChI：The Key: MRMOPGVGWFNHIN-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 白色半固体
- 密度：
- 0.98
- 沸点：
- 411.1ºC at 760 mmHg
- 闪点：
- 174.4ºC
- 折射率：
- 1.466
安全信息
- 外观与性状：
- 白色半固体
- 密度：
- 0.98
- 沸点：
- 411.1ºC at 760 mmHg
- 闪点：
- 174.4ºC
- 折射率：
- 1.466
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- JG7521400
- CHEMICAL NAME :
- 1,6-Dioxacycloheptadecan-17-one
- CAS REGISTRY NUMBER :
- 6707-60-4
- BEILSTEIN REFERENCE NO. :
- 0158802
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C15-H28-O3
- MOLECULAR WEIGHT :
- 256.43
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: 20,789,1982 ** 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: 20,789,1982
- 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 :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,789,1982
海关数据
中国海关编码：2932999099
- 概述：
- 2932999099. 其他仅含氧杂原子的杂环化合物. 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：
- 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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
2.氢键供体数量:0
3.氢键受体数量:3
4.可旋转化学键数量:0
5.互变异构体数量:2
6.拓扑分子极性表面积:35.5
7.重原子数量:18
8.表面电荷:0
9.复杂度:204
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:0
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
