CAS 10229-10-4 3-Pentyn-1-ol (HCID 66295)

名称と識別子

優先名称: 3-Pentyn-1-ol
IUPAC: pent-3-yn-1-ol
現地名: 3-ペンチン-1-オール
英語名: 3-PENTYN-1-OL
分子式: C5H8O
分子量: 84.12

名称と別名

3-Pentyn-1-olpent-3-yn-1-ol10229-10-4MFCD000029563-pentynolEINECS 233-550-7AI3-372563-Pentyn-1-ol, 97%SCHEMBL487343SCHEMBL710650SCHEMBL964462SCHEMBL6903394

名称をさらに表示

3-ペンチン-1-オール2-ペンチン-5-オール3‐ペンチン‐1‐オール3-pentyne-1-ol3-Pentyn-1-ol>3-PENTYN-1-OL 99%3-PENTYN-1-OL, 98%3-PENTYN-1-OL, 98%3-PENTYN-1-OL, 98%

SCHEMBL7366071DTXSID60650083-PENTYN-1-OL 99%3-Pentyn-1-ol, 99% 5GR3-Pentyn-1-ol>3-pentyne-1-ol3-PENTYN-1-OL 99+%SBB009118AKOS009156820

データベース識別子

CAS: 10229-10-4
PubChem CID: 66295
DTXSID: DTXSID6065008
EC Number: 233-550-7
Nikkaji: J126.450H

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: 1
重原子数: 6
形式電荷: 0
複雑度: 72.4

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionClear dark yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -24.1 °C · -24.1°C (estimate)
沸点: 154 · 154-157 °C (lit.)
比重(密度): 0.912 g/mL · 0.912 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.456(lit.)
闪点: 130 °F · 130 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 14.39 · 14.39±0.10(Predicted)
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 0.912 · 0.912
BRN: 1735967 · 1735967
InChI: InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3
InChIKey: IDYNOORNKYEHHO-UHFFFAOYSA-N
SMILES: C(O)CC#CC
LogP: 0.684 · 0.684 (est)
CAS データベース: 10229 · 10229-10-4(CAS DataBase Reference)
EPAの化学物質情報: 3 · 3-Pentyn-1-ol (10229-10-4)

化学的性質

化学的特性clear yellow 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, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information3-Pentyn-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]

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

安全データ

F: 10
wgk: 3
tsca: TSCA listed
ridadr: UN 1987 3/PG 3
hs_code: 29052900
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information3-Pentyn-1-ol: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用3-Pentyn-1-ol was used in the synthesis of 4,4-bis(1-methyl-1H-indol-3-yl)pentan-1-ol.

一般的な説明Inhibiting effect of 3-pentyn-1-ol on the corrosion of iron in 1M HCl has been investigated. Reaction of 3-pentyn-1-ol with Fe3(CO)12 in CH3OH/KOH solution yields closed trinuclear hydridic complex (μ-H)Fe3(CO)9(μ3-η3-[H3CCC(CH2)(CH2)CO]).