81-15-2

81-15-2结构式

常用中文名：二甲苯麝香
常用英文名：Musk Xylol
CAS号：81-15-2
分子式：C₁₂H₁₅N₃O₆
分子量：297.264
相关类别：香精与香料合成香料麝香和大环类香料硝基麝香
发布时间：2018-02-06 08:00:00
更新时间：2025-08-20 18:25:38
用途一：用作皂用香精、化妆香精定香剂
用途二：GB 2760--1996规定为允许使用的香料。
用途三：价格低廉，广泛用于低档的各种类型的香精，如日用化学品和廉价化妆品用香精，作为定香剂和修饰剂，亦广泛用于香皂、香波、香粉香精中。玫瑰香型中用之甚佳。还宜用作松木香型的主要定香剂。香皂香精中用量可达用3%-6%。
用途四：该品具有强烈的麝香的气味，是人造麝香中较低档的品种，但价廉易得，广泛用于化妆品香精和皂用香精中作为定香剂。在肥皂中用量为0.03-0.15%，去垢剂中0.003-0.015%，香水中0.2-0.5%，香脂和洗液中为0.01-0.05%。二甲苯麝香同时也作为很多中药膏贴剂的透皮剂使用，增加药物的表皮吸收，且有镇静、镇痛的作用，虽然本品称为人造麝香，但是他是单一的化合物，不同于麝香属于天然的多组分混合物。用麝香制成的含有药物中含有普拉雄酮，而被列为兴奋剂，在使用上有一定的限制，而二甲苯麝香，这好避开了这一限制得到一些业内人士的重视。同时用于化妆品、香皂、洗涤剂、熏香用品香精

中文名	二甲苯麝香
英文名	musk xylene
中文别名	1-三級丁-3,5-二甲-2,4,6-三硝苯 1-(1,1-二甲基乙基)-3,5-二甲基-2,4,6-三硝基苯 2,4,6-三硝基-1,3-二甲基-5-叔丁基苯 5-叔丁基-2,4,6-三硝基间二甲苯 2,4,6-三硝基-3,3-二甲基-5-叔丁基苯麝香茬
英文别名	xylenemusk MUSK XYLENE MOSCHUS XYLOL EINECS 201-329-4 1-t-butyl-3,5-dimethyl-2,4,6-trinitrobenzene MUSK XLYENE 2,4,6-trinitro-5-tert-butyl-1,3-dimethylbenzene MFCD00024270 musk xylol 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene 5-tert-butyl-1,3-dimethyl-2,4,6-trinitrobenzene Musk xylene solution Musk xyldl

密度	1.3±0.1 g/cm3
沸点	392.3±42.0 °C at 760 mmHg
熔点	235.4°C
分子式	C₁₂H₁₅N₃O₆
分子量	297.264
闪点	174.2±20.7 °C
精确质量	297.096100
PSA	137.46000
LogP	3.83
外观性状	淡黄色针状粉末
蒸汽压	0.0±0.9 mmHg at 25°C
折射率	1.573
储存条件	2-8°C
分子结构	1、摩尔折射率：69.72 2、摩尔体积（cm³/mol）：207.5 3、等张比容（90.2K）：564.0 4、表面张力（dyne/cm）：54.5 5、极化率（10-24cm3）：27.64
计算化学	1.疏水参数计算参考值（XlogP）:3.8 2.氢键供体数量:0 3.氢键受体数量:6 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积138 7.重原子数量:21 8.表面电荷:0 9.复杂度:416 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
更多	1.性状：淡黄色结晶。 2.溶点（ºC）：112.5～114.5 3.沸点（ºC）：200～202 4.闪点（ºC）：81 5.溶解性：不溶于水，微溶于乙醇、丙二醇、甘油，溶于大多数香料。遇光色泽变深。

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ7210000

CHEMICAL NAME :: Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-

CAS REGISTRY NUMBER :: 81-15-2

BEILSTEIN REFERENCE NO. :: 2015910

LAST UPDATED :: 199701

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C12-H15-N3-O6

MOLECULAR WEIGHT :: 297.30

WISWESSER LINE NOTATION :: WNR B1 F1 CNW ENW DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Human

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,881,1975 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 26,656,1981

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >4 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: 28,581,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >15 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 26,656,1981 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5040 mg/kg/14D-C

TOXIC EFFECTS :: Behavioral - tremor Gastrointestinal - ulceration or bleeding from stomach Related to Chronic Data - death

REFERENCE :: ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (108),89,1990

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 21420 mg/kg/17W-C

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (108),89,1990 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 36 gm/kg/80W-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Endocrine - tumors

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 28,581,1990 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,477,1996 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,477,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,477,1996 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83002 No. of Facilities: 463 (estimated) No. of Industries: 7 No. of Occupations: 29 No. of Employees: 89788 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83002 No. of Facilities: 9459 (estimated) No. of Industries: 81 No. of Occupations: 86 No. of Employees: 134413 (estimated) No. of Female Employees: 48955 (estimated)

符号	GHS02, GHS07
信号词	Danger
危害声明	H225-H302 + H312 + H332-H319
警示性声明	P210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235
个人防护装备	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
危害码 (欧洲)	E,Xn,N,F
风险声明 (欧洲)	R2
安全声明 (欧洲)	S36/37-S46-S60-S61-S16
危险品运输编码	2956