シクロペンタンメタノール

Cyclopentanemethanol

HCID 77195CAS 3637-61-4

基本情報

標準SMILES
OCC1CCCC1
InChIKey
ISQVBYGGNVVVHB-UHFFFAOYSA-N
分子式
C6H12O
平均分子量
100.16 g/mol
単同位体質量
100.088815

概要

Cyclopentyl methanol is a metabolite found in or produced by Saccharomyces cerevisiae.

名称と識別子

優先名称
Cyclopentanemethanol
IUPAC
cyclopentylmethanol
現地名
シクロペンタンメタノール
英語名
Cyclopentanemethanol
分子式
C6H12O
分子量
100.16

名称と別名

Cyclopentanemethanol3637-61-4EINECS 222-861-3AI3-28356DTXSID70189896NSC 102763RefChem:580995DTXCID30112387222-861-3InChI=1/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5HCyclopentylmethanolCyclopentYl-Methanol
名称をさらに表示
シクロペンタン-1-メタノールシクロペンタンメタノールシクロペンチルメタノール(ヒドロキシメチル)シクロペンタンシクロペンチルメチルアルコールCycloamyl carbinolTIMTEC-BB SBB008516RARECHEM AL BD 0721Cyclopentane-1-methanolCyclopentanemethanol,96%Cyclopentanemethanol >Cyclopentylmethyl alcohol
CyclopentylcarbinolMFCD00001384Cyclopentylmethyl alcohol(Hydroxymethyl)cyclopentanecyclopentyl methanolCyclopentyl carbinolSCHEMBL5625UNII-4LG8NG324P

データベース識別子

CAS
3637-61-4
PubChem CID
77195
DTXSID
DTXSID70189896
UNII
4LG8NG324P
EC Number
222-861-3
Nikkaji
J45.675F

物性

構造計算による物性

XLogP
1.4
極性表面積
20.2 Ų
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
1
重原子数
7

物理化学的性質

融点
121 · 121-123 °C(Solv: hexane (110-54-3))
沸点
162 · 162-163 °C(lit.)
比重(密度)
0.926 g/mL · 0.926 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.458(lit.)
闪点
144 °F · 144 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationCyclopentanemethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 4 (16.7%)

安全データ

wgk
3
ridadr
1987
hs_code
29061990
risk_code
36/37/38
消防法
危-4-2-III
safety_code
23-24/25

化学と産業

応用分野 · 2 件

説明Cyclopentanemethanol (CPEM) is a metabolite found in or produced by Saccharomyces cerevisiae. Cyclopentanemethanol can be used as a receptor reagent for the preparation of cyclopentyl methyl β-d -glucoside (CPEM-β-G). The compound was found to have an inhibitory effect on sweet amygdalinase activity (Ki=0.15±0.02 mM). The inhibitory activity of CPEM itself on sweet amygdalinase was weak and uncompetitive type. However, the introduction of glucose molecules as glycosyl groups into CPEM converted its inhibitory type into a competitive one[1].

使用Cyclopentanemethanol was used to study catalytic reduction of 6-bromo-1-hexene by nickel (I) salen electrogenerated at a glassy carbon electrode in acetonitrile containing tetramethylammonium tetrafluoroborate by cyclic voltammetry and controlled-potential electrolysis.

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