对甲苯磺酸乙酯
对甲苯磺酸乙酯用途
对甲苯磺酸乙酯名称
[ CAS 号 ]:
80-40-0
[ 中文名 ]:
对甲苯磺酸乙酯
[ 英文名 ]:
Ethyl 4-methylbenzenesulfonate
[中文别名 ]:
[英文别名 ]:
- Benzenesulfonic acid, 4-methyl-, ethyl ester
- ethyl p-toluenesulfonate
- EINECS 201-276-7
- Ethyl 4-methylbenzenesulfonate
- MFCD00009100
对甲苯磺酸乙酯生物活性
对甲苯磺酸乙酯物理化学性质
[ 密度 ]:
1.2±0.1 g/cm3
[ 沸点 ]:
306.2±11.0 °C at 760 mmHg
[ 熔点 ]:
29-33 °C(lit.)
[ 分子式 ]:
C9H12O3S
[ 分子量 ]:
200.25
[ 闪点 ]:
157.8±0.0 °C
[ 精确质量 ]:
200.050720
[ PSA ]:
51.75000
[ LogP ]:
1.83
[ 外观性状 ]:
透明无色至褐色液体在熔点后
[ 蒸汽压 ]:
0.0±0.6 mmHg at 25°C
[ 折射率 ]:
1.513
[ 储存条件 ]:
存放于惰性气体之中;避免湿气 (分解)
[ 水溶解性 ]:
Insoluble
对甲苯磺酸乙酯MSDS
对甲苯磺酸乙酯毒性和生态
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XT6825000
- CHEMICAL NAME :
- p-Toluenesulfonic acid, ethyl ester
- CAS REGISTRY NUMBER :
- 80-40-0
- BEILSTEIN REFERENCE NO. :
- 0611213
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 17
- MOLECULAR FORMULA :
- C9-H12-O3-S
- MOLECULAR WEIGHT :
- 200.27
- WISWESSER LINE NOTATION :
- 2OSWR D1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- 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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/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 :
- 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 :
- 3250 mg/kg/65W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
MUTATION DATA
- TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - hamster Embryo
- DOSE/DURATION :
- 500 ug/L
- REFERENCE :
- CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 1,323,1980
对甲苯磺酸乙酯安全信息
[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves
[ 危害码 (欧洲) ]:
Xn:Harmful;
[ 风险声明 (欧洲) ]:
R22;R36/37/38;R40
[ 安全声明 (欧洲) ]:
S26-S45-S36/37/39
[ 危险品运输编码 ]:
UN2811
[ WGK德国 ]:
3
[ RTECS号 ]:
XT6825000
[ 包装等级 ]:
III
[ 危险类别 ]:
6.1
[ 海关编码 ]:
29041000
对甲苯磺酸乙酯合成路线
对甲苯磺酸乙酯上下游产品
对甲苯磺酸乙酯上游产品
对甲苯磺酸乙酯下游产品
对甲苯磺酸乙酯制备
由对甲苯磺酰氯与乙醇酯化而得。将对甲苯磺酰氯加入无水乙醇中,微热溶解。于10-12℃下开始慢慢滴加氢氧化钠溶液,温度不超过15℃,每隔半小时测定1次pH值,保持9.3-9.7反应4h。加冰水,冷却至0℃,析出结晶。过滤,干燥得对甲苯磺酸乙酯。
对甲苯磺酸乙酯海关
[ 海关编码 ]: 29041000
对甲苯磺酸乙酯文献
J. Nucl. Med. 56(4) , 586-91, (2015)
PET with selective adenosine 2A receptor (A2A) radiotracers can be used to study a variety of neurodegenerative and neuropsychiatric disorders in vivo and to support drug-discovery studies targeting A...
A generic approach for the determination of residues of alkylating agents in active pharmaceutical ingredients by in situ derivatization-headspace-gas chromatography-mass spectrometry.J. Pharm. Biomed. Anal. 45(3) , 472-9, (2007)
A simple, reliable and fast procedure for the simultaneous determination of residues of some common alkylating agents (AAs), such as mesylates, besylates, tosylates and sulfates, employed in drug synt...
Determination of methyl and ethyl esters of methanesulfonic, benzenesulfonic and p-toluenesulfonic acids in active pharmaceutical ingredients by solid-phase microextraction (SPME) coupled to GC/SIM-MS.J. Pharm. Biomed. Anal. 39(3-4) , 477-85, (2005)
The development, optimization and validation of an extraction method for methyl and ethyl esters of various sulfonic acids is presented. The extraction and determination of these esters in active phar...
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