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对甲苯磺酸甲酯

对甲苯磺酸甲酯用途

用于制造染料及有机合成

对甲苯磺酸甲酯名称

[ CAS 号 ]:
80-48-8

[ 中文名 ]:
对甲苯磺酸甲酯

[ 英文名 ]:
Methyl p-toluenesulfonate

[中文别名 ]:

[英文别名 ]:

EINECS 201-283-5
methyl 4-methyl-1-benzenesulfonate
methyl p-toluene sulfonate
MPTS
PTS1
Methyl p-toluenesulf
methyltoluene-4-sulfonate
MPTS,TRISODIUM SALT
toluene-4-sulfonic acid-methyl ester
MFCD00008417

对甲苯磺酸甲酯物理化学性质

[ 密度 ]:
1.2±0.1 g/cm3

[ 沸点 ]:
291.8±9.0 °C at 760 mmHg

[ 熔点 ]:
25-28 °C(lit.)

[ 分子式 ]:
C₈H₁₀O₃S

[ 分子量 ]:
186.228

[ 闪点 ]:
130.3±18.7 °C

[ 精确质量 ]:
186.035065

[ PSA ]:
51.75000

[ LogP ]:
1.30

[ 外观性状 ]:
晶体固体

[ 蒸汽密度 ]:
6.45 (vs air)

[ 蒸汽压 ]:
0.0±0.6 mmHg at 25°C

[ 折射率 ]:
1.517

[ 储存条件 ]:
2-8°C

[ 水溶解性 ]:
Insoluble

对甲苯磺酸甲酯MSDS

对甲苯磺酸甲酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XT7000000

CHEMICAL NAME :: p-Toluenesulfonic acid, methyl ester

CAS REGISTRY NUMBER :: 80-48-8

BEILSTEIN REFERENCE NO. :: 0609209

LAST UPDATED :: 199707

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C8-H10-O3-S

MOLECULAR WEIGHT :: 186.24

WISWESSER LINE NOTATION :: 1OSWR 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 :: 341 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 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 :: 1400 mg/kg/2Y

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 800 mg/kg/54W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: Sex chromosome loss and nondisjunction

MUTATION DATA

TEST SYSTEM :: Insect - Drosophila melanogaster

DOSE/DURATION :: 11 mmol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 198,73,1988

对甲苯磺酸甲酯安全信息

[ 符号 ]:

GHS05, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H302-H314-H317

[ 警示性声明 ]:
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) ]:
Xn:Harmful;

[ 风险声明 (欧洲) ]:
R22;R36/37/38;R40;R43

[ 安全声明 (欧洲) ]:
S26-S36/37/39-S45-S24

[ 危险品运输编码 ]:
UN 3261 8/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
XT7000000

[ 包装等级 ]:
III

[ 危险类别 ]:
8

[ 海关编码 ]:
2904909090

对甲苯磺酸甲酯合成路线

对甲苯磺酸甲酯上下游产品

对甲苯磺酸甲酯上游产品

对甲苯磺酸甲酯下游产品

对甲苯磺酸甲酯制备

由对甲苯磺酰氯与甲醇反应而得。将对甲苯磺酰氯和甲醇混合，慢慢加入25%的氢氧化钠溶液，温度控制在25℃以下，至pH为9时，停止加碱，继续搅拌2h，放置过夜。取下层反应物，上层用苯提取，提取液回收苯后与下层合并，依次用水和5%碳酸钾溶液洗涤，经干燥后减压蒸馏即得成品。

对甲苯磺酸甲酯海关

[ 海关编码 ]: 2904909090

[ 中文概述 ]:
2904909090 其他烃的磺化、硝化、亚硝化衍生物（不论是否卤化）. 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 ]:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

对甲苯磺酸甲酯文献

Rapid and simultaneous determination of sulfonate ester genotoxic impurities in drug substance by liquid chromatography coupled to tandem mass spectrometry: comparison of different ionization modes.

J. Chromatogr. A. 1355 , 73-9, (2014)

Two ionization techniques for liquid chromatography-mass spectrometry (LC-MS) determination of sulfonate ester potentially genotoxic impurities (PGIs) were evaluated. Twelve PGIs including methyl, eth...

Secondary deuterium isotope effects.. beta.-Kinetic effects in Sn2 reactions of N, N-dimethylaniline and dimethylphenylphosphine with methyl p-toluenesulfonate, and comparison with observed and calculated vibrational frequencies. Kaplan ED and Thornton ER.

J. Am. Chem. Soc. 89(25) , 6644-51, (1967)

The formation of tin-nitrogen bonds. V. The selective 1-substitution reaction of tetrazoles by the reaction of 5-substituted 2-(tri-n-butylstannyl) tetrazoles with methyl iodide, methyl p-toluenesulfonate, dimethyl sulfate, and ethyl bromoacetate. Isida T, et al.

Bull. Chem. Soc. Jpn. 46 , 2176-80, (1973)

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