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对叔戊基苯酚

对叔戊基苯酚用途

有机合成。制备油溶性树脂、熏蒸剂，合成有机汞杀菌剂，农药和橡胶等中间体。

对叔戊基苯酚名称

[ CAS 号 ]:
80-46-6

[ 中文名 ]:
对叔戊基苯酚

[ 英文名 ]:
4-tert-Amylphenol

[中文别名 ]:

[英文别名 ]:

Phenol, 4-(1,1-dimethylpropyl)-
4-(2-Methyl-2-butanyl)phenol
4-tert-Amylphenol
EINECS 201-280-9
4-(1,1-Dimethylpropyl)phenol
4-tert-Pentylphenol
QR DX2&1&1
p-(1,1-Dimethylpropyl)phenol
MFCD00002369
p-(tert-Amyl)phenol

对叔戊基苯酚物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
262.5±0.0 °C at 760 mmHg

[ 熔点 ]:
88-89 °C(lit.)

[ 分子式 ]:
C₁₁H₁₆O

[ 分子量 ]:
164.244

[ 闪点 ]:
122.4±8.2 °C

[ 精确质量 ]:
164.120117

[ PSA ]:
20.23000

[ LogP ]:
3.70

[ 外观性状 ]:
白色少许针状的晶体

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.510

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放

[ 稳定性 ]:
Stable. Incompatible with acid chlorides, acid anhydrides, strong oxidizing agents.

[ 水溶解性 ]:
37 mg/L (20 ºC)

对叔戊基苯酚MSDS

对叔戊基苯酚毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SM6825000

CHEMICAL NAME :: Phenol, p-(tert-pentyl)-

CAS REGISTRY NUMBER :: 80-46-6

BEILSTEIN REFERENCE NO. :: 1908224

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C11-H16-O

MOLECULAR WEIGHT :: 164.27

WISWESSER LINE NOTATION :: QR D1X1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/13/1964

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1830 mg/kg

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

REFERENCE :: IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2 gm/kg

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

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/13/1964 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81455 No. of Facilities: 4030 (estimated) No. of Industries: 23 No. of Occupations: 28 No. of Employees: 142646 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81455 No. of Facilities: 3030 (estimated) No. of Industries: 11 No. of Occupations: 47 No. of Employees: 233571 (estimated) No. of Female Employees: 182550 (estimated)

对叔戊基苯酚安全信息

[ 符号 ]:

GHS05, GHS07, GHS09

[ 信号词 ]:
Danger

[ 危害声明 ]:
H302 + H312-H314-H317-H410

[ 警示性声明 ]:
P273-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P501

[ 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;N:Dangerousfortheenvironment;

[ 风险声明 (欧洲) ]:
R21/22;R34;R51/53

[ 安全声明 (欧洲) ]:
S26-S27-S36/37/39-S45-S61

[ 危险品运输编码 ]:
UN 2430 8/PG 2

[ WGK德国 ]:
2

[ RTECS号 ]:
SM6825000

[ 包装等级 ]:
III

[ 危险类别 ]:
8

[ 海关编码 ]:
2907199090

对叔戊基苯酚合成路线

对叔戊基苯酚上下游产品

对叔戊基苯酚上游产品

对叔戊基苯酚下游产品

对叔戊基苯酚制备

1. 由叔戊醇与苯酚缩合制备。

对叔戊基苯酚海关

[ 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%

对叔戊基苯酚文献

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...

Screening estrogenic activities of chemicals or mixtures in vivo using transgenic (cyp19a1b-GFP) zebrafish embryos.

PLoS ONE 7 , e36069, (2012)

The tg(cyp19a1b-GFP) transgenic zebrafish expresses GFP (green fluorescent protein) under the control of the cyp19a1b gene, encoding brain aromatase. This gene has two major characteristics: (i) it is...

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...

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