2-シクロペンテン-1-オール

2-Cyclopentene-1-ol

HCID 220164

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3212-60-0
標準SMILES: OC1C=CCC1
InChIKey: PSBABBDEUFNFKJ-UHFFFAOYSA-N
分子式: C5H8O
平均分子量: 84.12 g/mol
単同位体質量: 84.05751488

名称と識別子

優先名称: 2-Cyclopentene-1-ol
IUPAC: cyclopent-2-en-1-ol
現地名: 2-シクロペンテン-1-オール
英語名: cyclopent-2-en-1-ol
分子式: C5H8O
分子量: 84.12

名称と別名

Cyclopent-2-en-1-ol3212-60-02-CYCLOPENTEN-1-OL2-Cyclopentenol2-Cyclopentene-1-ol3-Hydroxycyclopentene1-Cyclopenten-3-olCyclopenten-3-ol3-Hydroxycylopentene6E43R2P5FTNSC 2499NSC-2499

名称をさらに表示

2-シクロペンテン-1-オールシクロペンタ-2-エン-1-オールcyclopenten-1-ol2-Cyclopenten-1-ol (6CI, 7CI, 8CI, 9CI, ACI)

EINECS 221-725-0AI3-24049DTXSID10883962RefChem:470991DTXCID309954302-CYCLOPENTEN-1-OL, (+-)-221-725-0cyclopent-2-enol

データベース識別子

CAS: 3212-60-0
PubChem CID: 220164
DTXSID: DTXSID10883962
UNII: 6E43R2P5FT
EC Number: 221-725-0
Nikkaji: J48.270F

物性

構造計算による物性

XLogP: 0.6
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: 0
重原子数: 6
形式電荷: 0
複雑度: 66.3

物理化学的性質

融点: -57.55 °C · -57.55°C
沸点: 114.43 °C · 114.43°C (rough estimate)
比重(密度): 0.888 · 0.8880 (rough estimate)
屈折率: 1.4316 · 1.4316 (estimate)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 14.67 · 14.67±0.20(Predicted)
InChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2
InChIKey: PSBABBDEUFNFKJ-UHFFFAOYSA-N
SMILES: C1(O)CCC=C1
EPAの化学物質情報: 2 · 2-Cyclopenten-1-ol (3212-60-0)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 2 (50%)

安全データ

tsca: TSCA listed
毒性: rabbit,LD50,skin,141uL/kg (0.141mL/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)LIVER: OTHER CHANGESSKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE",National Technical Information Service. Vol. OTS0534929,