S-(-)-2-甲基-1-丁醇 (HCID 2723602)

概述

(S)-2-methylbutan-1-ol is the (S)-enantiomer of 2-methylbutan-1-ol. It is an enantiomer of a (R)-2-methylbutan-1-ol.

名称与标识

首选名称: (S)-2-methyl-1-butanol
IUPAC: (2S)-2-methylbutan-1-ol
中文名: S-(-)-2-甲基-1-丁醇
英文名: (S)-(-)-2-Methyl-1-butanol
分子式: C5H12O
分子量: 88.15

名称与别名

1565-80-6(2S)-2-methylbutan-1-ol(S)-2-Methyl-1-butanol1-Butanol, 2-methyl-, (2S)-(S)-2-Methylbutan-1-ol2-Methyl-1-butanol, (-)-II2QJB35ICCHEBI:50625RefChem:1051157216-366-1(S)-(-)-2-Methyl-1-butanol(2S)-2-methyl-1-butanol

展开更多名称

戊基丙氨醇S-2-甲基丁醇L-2-甲基丁醇L-2-甲基丁醇 25MLS(-)-2-甲基-1-丁醇(S)-(-)-2-甲基-1-丁醇(S)-(-)-2-甲基-1-丁醇,98+%(S)-(-)-2-METHYL-1-BUTANOL (S)-(-)-2-甲基-1-丁醇N-PENTANOLAMYL ALCOHOLFUSEL OILN-PENTYL ALCOHOLAMYL ALCOHOL, N-FEMA 2056ALCOHOL C5L-pentanol(s)-1-butanoBUTYLCARBINOL

(S)-(-)-2-Methylbutanol(S)-2-methylbutanol1-Butanol, 2-methyl-, (S)-(-)-2-methyl-1-butanolMFCD00064299L-2-Methyl-1-butanol(-)-2-methylbutanolactive-Amyl Alcohol

数据库标识

CAS: 1565-80-6
PubChem CID: 2723602
DTXSID: DTXSID20883695
ChEBI: CHEBI:50625
UNII: II2QJB35IC
EC Number: 216-366-1
Nikkaji: J9.253C

性质

结构计算性质

XLogP: 1.2
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 2
重原子: 6
形式电荷: 0
复杂度: 27.1

实验与物化性质

SpringerMaterials PropertiesDensity

物理化学性质

熔点: -70 °C · -70 °C
比旋光度: -5.8 · -5.8 º (neat 23 ºC)
沸点: 136 · 136-138 °C(lit.)
密度: 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
蒸气密度: 3 · 3 (vs air)
蒸气压: 1 mm · 1 mm Hg ( 13.6 °C)
折射率: 20 · n20/D 1.409(lit.)
闪点: 120 °F · 120 °F
储存条件: 2 · 2-8°C
溶解度: soluble in Chloroform, Ethanol
酸度系数(pKa): 15.24 · 15.24±0.10(Predicted)
形态: clear liquid
颜色: Colorless to Almost colorless
气味 (Odor): ethereal fresh
水溶解性: 36 g/L · 36 g/L (30 ºC)
Merck: 14 · 14,6030
BRN: 1718809 · 1718809
Henry's Law Constant: 3.9 · 3.9×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
介电常数: 15.8 · 15.8(20℃)
InChI: 1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKey: QPRQEDXDYOZYLA-YFKPBYRVSA-N
SMILES: CC[C@H](C)CO
LogP: 1.223 · 1.223 (est)
CAS 数据库: 1565 · 1565-80-6(CAS DataBase Reference)
NIST化学物质信息: 1 · 1-Butanol, 2-methyl-, (S)-(1565-80-6)
EPA化学物质信息: 1 · 1-Butanol, 2-methyl-, (2S)- (1565-80-6)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H226 (81.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 136 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 2 条

Chemical: 1-Butanol, 2-methyl-, (S)-

1-Butanol, 2-methyl-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesFlam. Liq. 3 (81.6%)

安全数据

wgk: 1
tsca: TSCA listed
RTECS号: SB9800000
包装类别: III
危险等级: 3
存储类别: 3 - Flammable liquids
安全说明: 46-24/25
海关编码: 29051990
危险品标志: Xn
危险性类别: Acute Tox. 4 InhalationFlam. Liq. 3STOT SE 3
危险类别码: 10-20-37-66-2017/10/20
危险品运输编号: UN 1105 3/PG 3

化学与工业

用途与制造

General Manufacturing Information1-Butanol, 2-methyl-, (2S)-: ACTIVE

应用领域

用途用作医药中间体

用途手性中间体Chiral intermediate

上下游产品信息

上游原料

(S)-(+)-2-甲基丁酸硼氢化钠四氢呋喃乙酸乙酯氢化铝锂

下游产品

(S)-2-甲基丁醛丁酸-2-甲基丁酯 (R)-2-甲基丁醇

试剂价格

M0170 · 25ML: (S)-(-)-2-甲基-1-丁醇(S)-(-)-2-Methyl-1-butanol — 290元
XW15658061 · 5ML: S-2-甲基-1-丁醇(s)-2-methyl-1-butanol;2-methylbutyl alcohol;sec-butyl carbinol;active amyl alcohol — 35元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

关联笔记

加载中…

S-(-)-2-甲基-1-丁醇

基本信息

概述