15886-84-7

• 常用中文名：二(甲烷磺酸)1,3-丙二醇酯
• 常用英文名：1,3-Propanediol,1,3-dimethanesulfonate
• CAS号：15886-84-7
• 分子式：C₅H₁₂O₆S₂
• 分子量：232.27500
• 发布时间：2018-08-26 16:35:15
• 更新时间：2024-01-02 19:16:18

名称

• 中文名: 二(甲烷磺酸)1,3-丙二醇酯
• 英文名: 3-methylsulfonyloxypropyl methanesulfonate
• 英文别名: 1:3-Dimethanesulfonoxypropane; Trimethylene dimethanesulfonate; Trimethylene dimethanesulphonate; 1,3-propylene glycol dimesylate; Propane-1,3-dimethanesulfonate; 1,3-PROPANEDIOL,DIMETHANESULFONATE; Propylene dimethanesulfonate; 1,3-Dimethanesulphonoxypropane; 1,3-propanediol dimesylate; Dimethanesulfonic acid,trimethylene ester; dimesylate of 1,3-propanediol

物化性质

• 密度: 1.4g/cm3
• 沸点: 468.3ºC at 760 mmHg
• 分子式: C₅H₁₂O₆S₂
• 分子量: 232.27500
• 闪点: 237ºC
• 精确质量: 232.00800
• PSA: 103.50000
• LogP: 1.49050
• 蒸汽压: 1.7E-08mmHg at 25°C
• 折射率: 1.47
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积:104

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:281

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TY5400000 CHEMICAL NAME : 1,3-Propanediol, dimethanesulfonate CAS REGISTRY NUMBER : 15886-84-7 BEILSTEIN REFERENCE NO. : 1791022 LAST UPDATED : 199701 DATA ITEMS CITED : 13 MOLECULAR FORMULA : C5-H12-O6-S2 MOLECULAR WEIGHT : 232.29 WISWESSER LINE NOTATION : WS1&O3OSW1 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 : 500 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 : Intraperitoneal DOSE : 50 mg/kg SEX/DURATION : female 15 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - delayed effects TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 50 mg/kg SEX/DURATION : female 15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - germ cell effects (in offspring) Reproductive - Effects on Newborn - delayed effects TYPE OF TEST : Sex chromosome loss and nondisjunction TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Dominant lethal test TYPE OF TEST : Dominant lethal test TYPE OF TEST : Dominant lethal test TYPE OF TEST : Dominant lethal test TYPE OF TEST : Dominant lethal test MUTATION DATA TYPE OF TEST : DNA damage TEST SYSTEM : Rodent - rat Cells - not otherwise specified DOSE/DURATION : 250 umol/L REFERENCE : BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 32,2297,1983

安全

• 海关编码: 2905199090

合成路线

124-63-0 504-63-2 ~89% 15886-84-7

文献：Hanes, Robert E.; Ellingsworth, Edward C.; Griffin, Scott T.; Rogers, Robin D.; Bartsch, Richard A. ARKIVOC (Gainesville, FL, United States), 2010 , vol. 2010, # 7 p. 217 - 237,21

上下游产品

上游产品  2
124-63-0 504-63-2
下游产品  3
544-13-8 3722-61-0 89333-30-2

海关

海关编码	2905199090
中文概述	2905199090. 其他饱和一元醇. 增值税率:17.0%. 退税率:13.0%. 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, 包装
Summary	2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%