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4-仲丁基苯酚

4-仲丁基苯酚用途

有机发光二极管(OLED)材料

4-仲丁基苯酚名称

[ CAS 号 ]:
99-71-8

[ 中文名 ]:
对仲丁基苯酚

[ 英文名 ]:
4-(2-Butyl)phenol

[中文别名 ]:

[英文别名 ]:

4-butan-2-ylphenol
EINECS 202-781-5
MFCD00002375
4-(2-Butyl)phenol

4-仲丁基苯酚物理化学性质

[ 密度 ]:
0.972g/cm3

[ 沸点 ]:
135-136 °C25 mm Hg(lit.)

[ 熔点 ]:
46-59 °C(lit.)

[ 分子式 ]:
C₁₀H₁₄O

[ 分子量 ]:
150.21800

[ 闪点 ]:
240 °F

[ 精确质量 ]:
150.10400

[ PSA ]:
20.23000

[ LogP ]:
2.90570

[ 外观性状 ]:
白色结晶固体

[ 折射率 ]:
1.5195 (20ºC)

[ 储存条件 ]:
库房通风低温干燥,与碱类、氧化剂分开储运

4-仲丁基苯酚MSDS

4-仲丁基苯酚毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SJ8924000

CHEMICAL NAME :: Phenol, p-(sec-butyl)-

CAS REGISTRY NUMBER :: 99-71-8

BEILSTEIN REFERENCE NO. :: 1364714

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C10-H14-O

MOLECULAR WEIGHT :: 150.24

WISWESSER LINE NOTATION :: QR DY2&1

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 :: 2450 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - other changes

REFERENCE :: SRTCAC Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. (Tohoku University, Research Institute for Tuberculosis and Cancer, 4-1 Seiryo-machi, Sendai, Japan) V.1- 1949- Volume(issue)/page/year: 36(1-4),10,1989

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 66 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 :: 40 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1841 No. of Facilities: 688 (estimated) No. of Industries: 11 No. of Occupations: 11 No. of Employees: 19683 (estimated) No. of Female Employees: 4224 (estimated)

4-仲丁基苯酚安全信息

[ 符号 ]:

GHS05, GHS09

[ 信号词 ]:
Danger

[ 危害声明 ]:
H314-H400

[ 警示性声明 ]:
P273-P280-P305 + P351 + P338-P310

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ 危害码 (欧洲) ]:
C:Corrosive;

[ 风险声明 (欧洲) ]:
R34

[ 安全声明 (欧洲) ]:
S26-S27-S28-S36/37/39-S45

[ 危险品运输编码 ]:
UN 2430 8/PG 2

[ WGK德国 ]:
2

[ RTECS号 ]:
SJ8924000

[ 包装等级 ]:
III

[ 危险类别 ]:
8

[ 海关编码 ]:
2907199090

4-仲丁基苯酚合成路线

4-仲丁基苯酚上下游产品

4-仲丁基苯酚上游产品

4-仲丁基苯酚下游产品

4-仲丁基苯酚制备

1. 丁酮与苯酚在金属AI存在于制得。

4-仲丁基苯酚海关

[ 海关编码 ]: 2907199090

[ 中文概述 ]:
2907199090 其他一元酚. 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

[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

4-仲丁基苯酚文献

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

J. Med. Chem. 48 , 5666-74, (2005)

We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular d...

Biotransformation of 4-sec-butylphenol by Gram-positive bacteria of the genera Mycobacterium and Nocardia including modifications on the alkyl chain and the hydroxyl group.

Appl. Microbiol. Biotechnol. 97(18) , 8329-39, (2013)

The environmental pollutant 4-sec-butylphenol (4-sec-BP) which possesses estrogenic properties was transformed by the aerobic Gram-positive bacteria Mycobacterium neoaurum and Nocardia cyriacigeorgica...

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