3813-69-2

• 常用中文名：2-Pentyl p-toluenesulfonate
• 常用英文名：2-Pentyl p-toluenesulfonate
• CAS号：3813-69-2
• 分子式：C₁₂H₁₈O₃S
• 分子量：242.33500
• 发布时间：2017-02-16 04:42:27
• 更新时间：2025-08-25 18:58:57

名称

• 英文名: pentan-2-yl 4-methylbenzenesulfonate
• 英文别名: toluene-4-sulfonic acid-(1-methyl-butyl ester); Toluol-4-sulfonsaeure-(1-methyl-butylester); 2-Pentyl tosylate; 2-<p-Toluolsulfonyloxy>-pentan; 2-amyl tosylate; OSWR D1; 2-Pentyl-<4-toluol>-sulfonat; 2-pentanol tosylate; 2-Pentanol,4-methylbenzenesulfonate; 2-Pentanol,p-toluenesulfonate; 2-Pentyl p-toluenesulfonate; p-Toluenesulfonic acid,2-pentyl ester; 1-Methylbutyl tosylate

物化性质

• 密度: 1.1g/cm3
• 沸点: 343.9ºC at 760 mmHg
• 分子式: C₁₂H₁₈O₃S
• 分子量: 242.33500
• 闪点: 161.8ºC
• 精确质量: 242.09800
• PSA: 51.75000
• LogP: 3.96970
• 折射率: 1.502

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XT7200000 CHEMICAL NAME : p-Toluenesulfonic acid, 2-pentyl ester CAS REGISTRY NUMBER : 3813-69-2 BEILSTEIN REFERENCE NO. : 2417601 LAST UPDATED : 199707 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C12-H18-O3-S MOLECULAR WEIGHT : 242.36 WISWESSER LINE NOTATION : 3Y1&OSWR D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 178 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00674

合成路线

6032-29-7 98-59-9 ~91% 3813-69-2

文献：THE JOHNS HOPKINS UNIVERSITY; LIU, Jun, O.; SHI, Wei; PASUNOOTI, Kalyan, Kumar Patent: WO2013/36866 A1, 2013 ; Location in patent: Paragraph 0252 ;

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