81-15-2

81-15-2结构式
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:2024-01-02 23:51:33
  • 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

化源商城直购

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
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

~95%

81-15-2结构式

81-15-2

文献:Organic Preparations and Procedures International, , vol. 36, # 2 p. 188 - 191

~6%

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文献:Synthesis, , # 8 p. 1291 - 1293

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文献:Chemische Berichte, , vol. 24, p. 2842 Chemische Berichte, , vol. 27, p. 1606

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文献:Journal of the American Chemical Society, , vol. 61, p. 101,103

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文献:Journal of Organic Chemistry, , vol. 60, # 11 p. 3445 - 3447

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81-15-2

文献:Journal of Organic Chemistry, , vol. 12, p. 587,592

氯代叔丁烷在氯化铝存在下,与间二甲苯作用生成1,3-二甲苯-5-叔丁基苯,再用浓硝酸硝化而制得。