プロピルオキシラン

Oxirane, 2-propyl-

HCID 13853CAS 1003-14-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCC1CO1
InChIKey: SYURNNNQIFDVCA-UHFFFAOYSA-N
分子式: C5H10O
平均分子量: 86.13 g/mol
単同位体質量: 86.07316494

名称と識別子

優先名称: Oxirane, 2-propyl-
IUPAC: 2-propyloxirane
現地名: プロピルオキシラン
英語名: 1,2-Epoxypentane
分子式: C5H10O
分子量: 86.13

名称と別名

1,2-EpoxypentaneOxirane, 2-propyl-Pentylene oxideEINECS 213-701-3NSC 46349BRN 0102422DTXSID40883637EC 213-701-35-17-01-00087 (Beilstein Handbook Reference)RefChem:168938DTXCID701023147SYURNNNQIFDVCA-UHFFFAOYSA-N

名称をさらに表示

2-プロピルオキシランプロピルオキシラン1,2-エポキシペンタン1,2-ペンチレンオキシドNsc46349propyl-oxiranPENTYLENEOXIDE1,2-epoxy-pentan

1003-14-12-PropyloxiranePROPYLOXIRANE1-Pentene oxideOxirane, propyl-Propylethylene oxidePentene 1,2-oxidePentane, 1,2-epoxy-

データベース識別子

CAS: 1003-14-1
PubChem CID: 13853
DTXSID: DTXSID40883637
EC Number: 213-701-3
Nikkaji: J65.579A

物性

構造計算による物性

XLogP: 1.4
極性表面積: 12.5 Å²
水素結合供与体数: 0
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: 43.2

物理化学的性質

沸点: 89 · 89-90 °C750 mm Hg(lit.)
比重(密度): 0.83 g/mL · 0.83 g/mL at 25 °C(lit.)
蒸気圧: 70 hPa · 70hPa at 20℃
屈折率: 20 · n20/D 1.396(lit.)
闪点: 10 °F · 10 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 23 g/L · 23g/L at 20℃
InChI: 1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3
InChIKey: SYURNNNQIFDVCA-UHFFFAOYSA-N
SMILES: CCCC1CO1
LogP: 1.29 at · 1.29 at 25℃
EPAの化学物質情報: Oxirane, propyl- (1003-14-1)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.6% (1 of 158) of reports.

Danger

H225 (99.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P321, P330, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 158 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 3 件

Chemical: Oxirane, propyl-

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

Status: Active Update: 10-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/12073

Other Safety InformationIMAP assessments - Short-chain alkyl oxiranes: Human health tier II assessment

Hazard Classes and Categories · 2 件

Flam. Liq. 2 (99.4%)

Acute toxicity - category 4

安全データ

wgk: 3
tsca: TSCA listed
rtecs: SA2700000
ridadr: UN 1993 3/PG 2
hs_code: 2910.90.9100
risk_code: 11-40-20/21/22
消防法: 危-4-1-II
hazard_code: F
safety_code: 16-36/37
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids