4-Penten-1-OL (HCID 13181)

概要

4-pentenol has been reported in Brassica napus and Brassica rapa with data available.

名称と識別子

優先名称: 4-Penten-1-OL
IUPAC: pent-4-en-1-ol
現地名: 4-ペンテン-1-オール
英語名: 4-Penten-1-ol
分子式: C5H10O
分子量: 86.13

名称と別名

4-PENTEN-1-OLPent-4-en-1-ol821-09-04-PentenolW0558TQC6FNSC-97503DTXSID30231562RefChem:100293DTXCID60154053212-473-24-Pentenyl alcohol2-Allylethyl alcohol

名称をさらに表示

4-ペンテン-1-オール1-ペンテン-5-オール4-ペンテン-1-オ-ル4‐ペンテン‐1‐オールペント-4-エン-1-オールペンタ-4-エン-1-オール4-ペンテニルアルコールPentenolPenten-14-Buten-1-olNSC 975034-penten-1-0l4-pentan-1-ol

5-hydroxy-1-penteneMFCD000029754-Pentene-1-ol4-Pentenol-1UNII-W0558TQC6F5-Hydroxy-1-pentene; 4-Pentenyl Alcohol; 4-Pentenol; NSC 97503;4-penten-1ol4penten-1-ol

データベース識別子

CAS: 821-09-0
PubChem CID: 13181
DTXSID: DTXSID30231562
UNII: W0558TQC6F
EC Number: 212-473-2
Nikkaji: J105H

物性

構造計算による物性

XLogP: 1
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: 3
重原子数: 6
形式電荷: 0
複雑度: 32.9

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesSchoenflies notation

Flavoring AgentsEU Flavoring substances

Vapor Pressure3.06 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 14.19 °C · 14.19°C (estimate)
沸点: 134 · 134-137 °C (lit.)
比重(密度): 0.834 g/mL · 0.834 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.429(lit.)
闪点: 110 °F · 110 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: 57 g/l · 57g/l (実験的)
酸解離定数(Pka): 15.13 · 15.13±0.10(Predicted)
外見: 液体
色: 無色透明
比重: 0.83 · 0.83
水溶解度: 57 g/L · 水への溶解度: 57 g/L (25°C)
BRN: 1560163 · 1560163
InChI: 1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2
InChIKey: LQAVWYMTUMSFBE-UHFFFAOYSA-N
SMILES: OCCCC=C
LogP: 0.776 · 0.776 (est)
CAS データベース: 821 · 821-09-0(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Penten-1-ol(821-09-0)

化学的性質

化学的特性4-Penten-1-ol is Colourless Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

4-Penten-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [EFSA] May cause irritation; [Sigma-Aldrich MSDS]

Peroxide Forming Chemical · 4 件

4-Penten-1-ol

B: Compounds that form peroxides on concentration (distillation/evaporation)

1 samples, 20 ppm Peroxide; > 1 yr

Kelly

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1987 3/PG 3
hs_code: 29052990
risk_code: 10-37-20
化審法: (2)-2393
消防法: 危-4-2-III
hazard_code: Xn
safety_code: 23-24/25-16
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUsed as a flavoring agent; [EFSA]

応用分野 · 3 件

用途有機合成原料。

使用4-Penten-1-ol is a reagent used in carbohydrate chemistry for n-Pentenyl Glycoside methodology for the rapid assembly of homoglycans exemplified with the nonasaccharide component of a high-mannose glycoprotein.

一般的な説明4-penten-1-ol forms ester bond at the C terminus of the linear peptide in solution with HATU as coupling agent.