氢化三联苯

氢化三联苯 基本信息
CAS号 61788-32-7 分子式 C18H22
分子量 238.36700 精确质量  238.17200
PSA  0.00000 LogP  5.33400

基本信息 展开↓

CAS号:
61788-32-7
分子式:
C18H22
分子量:
238.36700
中文名称:
氢化三联苯
英文名称:
1-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-ylbenzene
中文别名:
氢化三联苯;
5-methoxy-1-(4-(trifluoromethyl)phenyl)-1-pentan oxime;
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl) phenyl] -, oxime;
2-甲硫基-5-氯嘧啶-4-甲酸;
5-氯-2-(甲硫基)嘧啶-4-羧酸;
4-Fluoro-3-(Trifluoromethyl)-Phenol;
4-Fluoro-3-(trifluoromethyl)phenol;
UNII-5LGN83G74V;
Fluvoxamine maleate;
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-;
5-Methoxy-4''-(trifluoromethyl)-valerophenone;
4-trifluoromethyl-5-methoxy-valerophenone;
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one;
(4-trifluoromethyl)-5-methoxyvalerophenone;
5-Methoxy-1-(4-trifluoromethyl-phenyl)-pentan-1-one;
5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone;
N,N-Bis-(2,2,6,6-Tetramethyl-4-Piperidinyl)-Hexamethylenediamine;
N,N'-Bis(2,2,6,6-Tetramethyl-4-Piperidinyl)Hexanediamine;
N,N'-Bis(2,2,6,6-Tetrameth;
HMBTAD
英文别名:
1-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-ylbenzene;
Terphenyl,hydrogenated
精确分子量/精确质量:
238.17200
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
262-967-7
InChI:
InChI=1/C18H22/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3,5,9,11-16H,2,4,6-8,10H2

物化性质展开↓

外观与性状:
透明油性灰白-黄色液体,带有一种微弱气味
密度:
0.999 g/cm3
沸点:
352.8ºC at 760 mmHg
闪点:
167.4ºC
折射率:
1.56

安全信息展开↓

海关代码:
2902909090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WZ6535000
CHEMICAL NAME :
Terphenyls, hydrogenated
CAS REGISTRY NUMBER :
61788-32-7
LAST UPDATED :
199712

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 4,220,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12500 mg/kg
REFERENCE :
DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 4,220,1980 *** REVIEWS *** ACGIH TLV-TWA 4.9 mg/m3 (0.5 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.5 ppm (5 mg/m3) JAN 1993 OEL-BELGIUM:TWA 0.5 ppm (4.9 mg/m3) JAN 1993 OEL-DENMARK:TWA 0.4 ppm (4.4 mg/m3) JAN 1993 OEL-FRANCE:TWA 0.5 ppm (5 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 0.5 ppm (5 mg/m3) JAN 1993 OEL-RUSSIA:STEL 5 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 0.5 ppm (5 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO HYDROGENATED TERPHENYLS-air:10H TWA 0.5 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4385 No. of Facilities: 250 (estimated) No. of Industries: 6 No. of Occupations: 7 No. of Employees: 2105 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4385 No. of Facilities: 1281 (estimated) No. of Industries: 16 No. of Occupations: 28 No. of Employees: 35036 (estimated) No. of Female Employees: 7571 (estimated)

海关数据查看详细

中国海关编码:2902909090

概述:
2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素:
品名, 成分含量
摘要/Summary:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):5.7

2.氢键供体数量:0

3.氢键受体数量:0

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:0

7.重原子数量:18

8.表面电荷:0

9.复杂度:304

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:2

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

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