(S)-2-methyl-1-butanol

HCID 2723602CAS 1565-80-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC[C@H](C)CO
InChIKey: QPRQEDXDYOZYLA-YFKPBYRVSA-N
分子式: C5H12O
平均分子量: 88.15 g/mol
単同位体質量: 88.088815

概要

(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.

名称と識別子

優先名称: (S)-2-methyl-1-butanol
IUPAC: (2S)-2-methylbutan-1-ol

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.2
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 27.1

実験および物理化学的性質

SpringerMaterials PropertiesDensity

安全と法規制

GHS分類

GHS Classification · 4 件

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.