2-特丁基苯酚

外观与性状：

无色至淡黄色液体

密度：

0.982 g/mL at 25 °C(lit.)

熔点：

12 °C(lit.)

沸点：

226-228 °C(lit.)

闪点：

234 °F

水溶解性：

Insoluble.

折射率：

n20/D 1.522(lit.)

存储条件/存储方法：

库房通风低温干燥,与碱类、氧化剂分开储运

包装等级：

III

风险类别：

8

海关代码：

2907191090

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R22;R34

安全说明：

S26-S27-S28-S36/37/39-S45

RTECS号：

SJ8920000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
S28:接触皮肤之后，立即使用大量皂液洗涤。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:

危险标志：

C:Corrosive;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

SJ8920000

CHEMICAL NAME :

Phenol, o-sec-butyl-

CAS REGISTRY NUMBER :

89-72-5

BEILSTEIN REFERENCE NO. :

1210026

LAST UPDATED :

199712

DATA ITEMS CITED :

21

MOLECULAR FORMULA :

C10-H14-O

MOLECULAR WEIGHT :

150.24

WISWESSER LINE NOTATION :

QR BY2&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,224,1986

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,224,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

63 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,868,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

60 mg/kg

TOXIC EFFECTS :

Behavioral - sleep

REFERENCE :

JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

600 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,84,1986

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

600 mg/kg

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,84,1986 *** REVIEWS *** ACGIH TLV-TWA 31 mg/m3 (5 ppm) (skin) 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 5 ppm (30 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 5 ppm (31 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 5 ppm (30 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 5 ppm (30 mg/m3);Skin JAN 1993 OEL-THE NETHERLANDS:TWA 5 ppm (30 mg/m3);Skin JAN 1993 OEL-SWITZERLAND:TWA 5 ppm (30 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 5 ppm (30 mg/m3);Skin 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 o-sec-BUTYLPHENOL-air:10H TWA 5 ppm (Sk) 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 - 83612 No. of Facilities: 41 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 316 (estimated)

中国海关编码：2907191090

概述：

2907191090 邻仲丁基酚。监管条件:无。增值税率:17.0%。退税率:9.0%。最低关税:4.0%。普通关税:11.0%

摘要/Summary：

2907191090 2-(sec-butyl)phenol。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:4.0%。General tariff:11.0%

分子结构数据

1、  摩尔折射率：46.95

2、  摩尔体积（cm³/mol）：154.4

3、  等张比容（90.2K）：377.1

4、  表面张力（dyne/cm）：35.5

5、  极化率（10-24cm3）：18.61

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积20.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:111

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:1

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

• 
  2-仲丁基苯酚质谱(MS)
• 
  2-仲丁基苯酚核磁图(¹³CNMR)
• 
  2-仲丁基苯酚核磁图(¹HNMR)
• 
  2-仲丁基苯酚红外图谱(IR1)
• 
  2-仲丁基苯酚红外图谱(IR2)