1H-Indene,2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
- 中文别名:2,3-二氢-1,1,3,3,5-五甲基-4,6-二硝基-1H-茚
- 中文释义:麝香;2,3-二氢-1,1,3,3,5-五甲基-4,6-二硝基-1H-茚;1,1,3,3,5-五甲基-4,6-二硝基茚;1,1,3,3,5-五甲基-4,6-二硝基茚满
- 英文别名:1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene;
Nitromusl moskene;
1H-Indene,2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro;
Moskene;
EINECS 204-149-4;
Musk moskene solution;
Musk moskene;
1,1,3,3,5-pentamethyl-4,6-dinitroindan;
musk,oscene;
4,6-DINITRO-1,1,3,3,5-PENTAMETHYLINDANE;
1,1,3,3,5-Pentamethyl-4,6-dinitroindane;
4,6-dinitro-1,1,3,3,5-pentamethylindane
- CAS No.:116-66-5
- 分子式:
C14H18N2O4
- 分子量:278.3
- 精确分子量:278.12700
- PSA:91.64000
- MDL:MFCD00021242
- InChI:The Key: UHWURQRPEIFIAK-UHFFFAOYSA-N
- 分子结构式:
物化性质
- 密度:
- 1.182g/cm3
- 沸点:
- 351.1ºC at 760mmHg
- 闪点:
- 145.3ºC
- 折射率:
- 1.55
- 蒸汽压:
- 8.49E-05mmHg at 25°C
- 稳定性相关:
棕黄色至深褐色的卵圆状物,囊内是胶状分泌物。有强烈持久的特殊动物香。
- 其它信息:
1.性状:一种动物性香料。是3岁以上的雄麝鹿香囊中的干燥分泌物。干燥后是红棕色至暗棕色的粒状物质。有不愉快的原始气味,但高度稀释后有独特的香气。
安全信息
- 密度:
- 1.182g/cm3
- 沸点:
- 351.1ºC at 760mmHg
- 闪点:
- 145.3ºC
- 折射率:
- 1.55
- 蒸汽压:
- 8.49E-05mmHg at 25°C
- 稳定性相关:
棕黄色至深褐色的卵圆状物,囊内是胶状分泌物。有强烈持久的特殊动物香。
- 其它信息:
1.性状:一种动物性香料。是3岁以上的雄麝鹿香囊中的干燥分泌物。干燥后是红棕色至暗棕色的粒状物质。有不愉快的原始气味,但高度稀释后有独特的香气。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NK5045000
- CHEMICAL NAME :
- Indan, 4,6-dinitro-1,1,3,3,5-pentamethyl-
- CAS REGISTRY NUMBER :
- 116-66-5
- BEILSTEIN REFERENCE NO. :
- 2163411
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C14-H18-N2-O4
- MOLECULAR WEIGHT :
- 278.34
- WISWESSER LINE NOTATION :
- L56T&J B1 B1 D1 D1 FNW G1 HNW
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,885,1979 ** 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: 17,885,1979
- 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: 17,885,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1095 No. of Facilities: 1435 (estimated) No. of Industries: 3 No. of Occupations: 9 No. of Employees: 17329 (estimated) No. of Female Employees: 15024 (estimated)
海关数据
中国海关编码:2914700090
- 概述:
- 2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 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, 丙酮报明包装
- 摘要/Summary:
- HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:74.98
2、 摩尔体积(cm3/mol):235.3
3、 等张比容(90.2K):608.1
4、 表面张力(dyne/cm):44.6
5、 极化率(10-24cm3):29.72
计算化学数据
1.疏水参数计算参考值(XlogP):4.5
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积91.6
7.重原子数量:20
8.表面电荷:0
9.复杂度:435
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