对甲酚

对甲酚用途

【用途一】
本品是制造抗氧剂2，6-二叔丁基对甲酚和橡胶防老剂的原料，同时，又是生产医药TMP和染料可利西丁磺酸的重要基础原料。
【用途二】
用于有机合成
【用途三】
GB 2760--1996规定为允许使用的食用香料。
【用途四】
对甲酚是杀菌剂甲基立枯磷，杀虫剂氟氰戊菊酯、醚菊酯的中间体，也是抗氧化添加剂2，6-二叔丁基-4-甲基苯酚和对羟基苯甲醛的中间体。
【用途五】
制造防老剂264（2,6-二叔丁基对甲酚）和橡胶防老剂的原料。在塑料工业中可制造酚醛树脂和增塑剂。在医药上用作消毒剂。此外，还可作染料和农药的原料。
【用途六】
杀菌剂。防霉剂。有机合成。

对甲酚名称

[ CAS 号 ]:
106-44-5

[ 中文名 ]:
对甲酚

[ 英文名 ]:
p-Cresol

[中文别名 ]:

[英文别名 ]:

Phenol, 4-methyl-
p-hydroxytoluene
p-Kresol
1-Methyl-4-hydroxybenzene
p-methylphenol
4-cresol
KRESOL-PARA
Cresol, p-
p-oxytoluene
EINECS 203-398-6

对甲酚物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
202.0±0.0 °C at 760 mmHg

[ 熔点 ]:
32-34 °C(lit.)

[ 分子式 ]:
C₇H₈O

[ 分子量 ]:
108.138

[ 闪点 ]:
81.0±8.2 °C

[ 精确质量 ]:
108.057518

[ PSA ]:
20.23000

[ LogP ]:
1.94

[ 外观性状 ]:
透明至略琥珀色半固体

[ 蒸汽密度 ]:
3.72 (vs air)

[ 蒸汽压 ]:
0.2±0.4 mmHg at 25°C

[ 折射率 ]:
1.546

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放

[ 稳定性 ]:
Stable. Combustible. Incompatible with strong oxidizing agents. Air and light-sensitive. Hygroscopic.

[ 水溶解性 ]:
20 g/L (20 ºC)

对甲酚MSDS

详细MSDS(安全技术说明书)

对甲酚毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GO6475000

CHEMICAL NAME :: p-Cresol

CAS REGISTRY NUMBER :: 106-44-5

LAST UPDATED :: 199712

DATA ITEMS CITED :: 44

MOLECULAR FORMULA :: C7-H8-O

MOLECULAR WEIGHT :: 108.15

WISWESSER LINE NOTATION :: QR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 207 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Gastrointestinal - ulceration or bleeding from stomach

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >710 mg/m3/1H

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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 750 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

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

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1440 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 344 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 25 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 160 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 80 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 620 mg/kg

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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 301 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - other changes

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 300 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 180 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 200 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 150 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 21 gm/kg/28D-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 33600 mg/kg/28D-C

TOXIC EFFECTS :: Cardiac - changes in heart weight Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2280 mg/kg/20W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Rodent - hamster Lung

REFERENCE :: CRTOEC Chemical Research in Toxicology. (American Chemical Soc., Distribution Office Dept. 223, POB 57/36, West End Station, Washington, DC 20037) V.1- 1988- Volume(issue)/page/year: 4,151,1991 *** REVIEWS *** ACGIH TLV-TWA 22 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 TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 47,75,1978 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 5 ppm (22 mg/m3) 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: 3,61,1971 OSHA PEL (Gen Indu):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 5 ppm (22 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 p-CRESOL-air:10H TWA 2.3 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 - 84266 No. of Facilities: 4394 (estimated) No. of Industries: 48 No. of Occupations: 34 No. of Employees: 33253 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84266 No. of Facilities: 1057 (estimated) No. of Industries: 8 No. of Occupations: 14 No. of Employees: 21313 (estimated) No. of Female Employees: 16798 (estimated)

对甲酚安全信息

[ 符号 ]:

GHS05, GHS06

[ 信号词 ]:
Danger

[ 危害声明 ]:
H301-H311-H314

[ 警示性声明 ]:
P280-P301 + P310-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) ]:
T:Toxic

[ 风险声明 (欧洲) ]:
R24/25;R34

[ 安全声明 (欧洲) ]:
S36/37/39-S45-S36/37

[ 危险品运输编码 ]:
UN 3455 6.1/PG 2

[ WGK德国 ]:
1

[ RTECS号 ]:
GO6475000

[ 包装等级 ]:
II

[ 危险类别 ]:
6.1

[ 海关编码 ]:
29071200

对甲酚上下游产品

对甲酚上游产品

对甲酚下游产品

对甲酚制备

其制备方法有以下几种。
(1)甲苯磺化碱熔法

以甲苯为原料，以硫酸为磺化剂，在110～130℃进行磺化反应，生成中间体甲苯磺酸，经中和后在340～365℃下与熔融氢氧化钠进行碱熔反应，得甲酚钠，经酸化后得粗甲酚，再经蒸馏分出邻甲酚和苯酚，得到以对甲酚为主体的间、对混甲酚。温度变化、磺化剂种类以及甲苯与磺化剂的配比决定了生成甲酚中异构体组成。南京金燕化工总公司采用磺化碱熔法可生产高纯度对甲酚。常用的磺化剂还有发烟硫酸、氯磺酸。
甲苯磺化法制备对甲酚是最早的工业化方法，此法工艺较成熟，但需消耗大量的酸、碱，设备腐蚀问题大，目前该法还是生产对甲酚的主要方法。
间、对甲酚混合物提取间甲酚后的母液可用草酸加成法进行再结晶。例如将尿素配合过滤后的甲苯溶液加热到95～100℃，搅拌下加入草酸反应2～3h，然后在常温下冷却约16h，真空过滤得白色结晶即对甲酚草酸配合物。将此配合物用热水分解，上层油层先经常压蒸馏为甲苯和水蒸出后，再在真空度0.094 MPa切取93～104℃馏分即得纯度为95%对甲苯酚。

(2)对甲苯胺重氮水解法

对甲苯胺和硫酸生成对甲苯胺硫酸盐，在0～5℃用亚硝酸钠进行重氮化，然后将重氮盐在稀硫酸中加热水解，用蒸汽将油状物分出，将油层分出加到1%氢氧化钠中，再加脱色过滤，加入浓硫酸至pH=1，然后将水层分出，加入锌粉和硫酸，再用碳酸钠中和至中性，分出油状物，水洗，然后减压蒸馏得成品。

(3)可用对甲苯磺酸钠经碱熔后再酸化获得。

对甲酚海关

[ 海关编码 ]: 2907121900

[ 中文概述 ]:
2907121900 其他甲酚。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最低关税:5.5%。普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ 监管条件 ]: A.入境货物通关单 B.出境货物通关单

[ 检验检疫 ]: R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验

[ Summary ]:
2907121900 p-cresol。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:5.5%。general tariff:30.0%

对甲酚文献

Age-related reference values for urinary organic acids in a healthy Turkish pediatric population.

Clin. Chem. 40(6) , 862-6, (1994)

Organic acid concentrations were quantified by gas chromatography and the individual acids identified by mass spectrometry in urine specimens from a healthy Turkish pediatric population of ages 2 days...

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...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

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对甲酚