3-甲烷磺酰基丙酸

3-甲烷磺酰基丙酸 基本信息
CAS号 645-83-0 分子式 C4H8O4S
分子量 152.16900 精确质量  152.01400
PSA  79.82000 LogP  0.58650

基本信息 展开↓

CAS号:
645-83-0
3D弹球模型:
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分子式:
C4H8O4S
分子量:
152.16900
中文名称:
3-甲烷磺酰基丙酸
英文名称:
3-methylsulfonylpropanoic acid
中文别名:
3-甲烷磺酰基丙酸;
3-(甲磺酰基)丙酸;
dipentyl butanedioate;
Diamyl Succinate;
dipentyl succinate;
Hydrocinnamonitrile;
FEMA No. 3649;
Hydroxypropylbenzene, p-;
NSC 65647;
Phenol, 4-propyl-;
Phenol, p-propyl-;
p-Propylphenol;
4-n-Propylphenol;
Phosphorsaeure-bis-(p-nitro-phenylester) [German];
p-Nitrophenyl monohydrogen phosphate;
Bis(4-nitrophenyl) hydrogen phosphate;
Phosphoric acid, bis(p-nitrophenyl) ester;
Bis(p-nitrophenyl)phosphate;
Pfizer-E;
Qidmycin;
Stearic acid, compd. with erythromycin (1:1);
UNII-LXW024X05M;
Wyamycin S;
Erythromycin octadecanoate (salt);
Erythromycin, stearate (salt);
octadecanoic acid - (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9;
(2S,3R,4S,6R)-4-(dimethylamino)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dio
英文别名:
3-methylsulfonylpropanoic acid;
Propionic acid,3-(methylsulfonyl);
3-Methansulfonyl-propionsaeure;
Methylsulfonyl propionic acid;
3-Methylsulfon-propionsaeure;
3-(methylsulfonyl)propanoic acid;
Propanoic acid,3-(methylsulfonyl);
3-Methylsulfonyl-propionsaeure;
3-methanesulfonyl-propionic acid;
MSPA
精确分子量/精确质量:
152.01400
极性分子表面积/PSA:
79.82000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C4H8O4S/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)

物化性质展开↓

密度:
1.38g/cm3
沸点:
409ºC at 760mmHg
闪点:
201.1ºC
折射率:
1.474

安全信息展开↓

海关代码:
2915900090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UA2474200
CHEMICAL NAME :
Propanoic acid, 3-(methylsulfonyl)-
CAS REGISTRY NUMBER :
645-83-0
BEILSTEIN REFERENCE NO. :
1764384
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C4-H8-O4-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 30,242,1971

海关数据查看详细

中国海关编码:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
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
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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