1-Hexyne

HCID 12732CAS 26856-30-4

基本情報

標準SMILES: C#CCCCC
InChIKey: CGHIBGNXEGJPQZ-UHFFFAOYSA-N
分子式: C6H10
平均分子量: 82.14 g/mol
単同位体質量: 82.07825032

概要

1-hexyne is a terminal acetylenic compound that is hexane carrying a triple bond at position 1. It is a volatile organic compound, an alkyne and a terminal acetylenic compound.

名称と識別子

優先名称: 1-Hexyne
IUPAC: hex-1-yne
英語名: 1-Hexyne
分子式: C6H10
分子量: 0

名称と別名

1-HEXYNE693-02-7n-ButylacetyleneButylacetylene5FZF2F38F5NSC-9709CHEBI:176793DTXSID30870753RefChem:1055562DTXCID20818447211-736-9Hex-1-yne

名称をさらに表示

HEXYNENSC 9709n-hexyneEINECS 211-736-9UNII-5FZF2F38F5MFCD0000950426856-30-428827-85-2

データベース識別子

CAS: 26856-30-4、693-02-7
PubChem CID: 12732
DTXSID: DTXSID30870753
ChEBI: CHEBI:176793
UNII: 5FZF2F38F5
EC Number: 211-736-9
Nikkaji: J6.933G

物性

構造計算による物性

XLogP: 2.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 53.7

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

LogP2.73

Vapor Pressure133.0 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -131.9 °C · -131.9 °C
沸点: 71.3 °C · 71.3 °C
比重(密度): 0.7336 g/cm3 · 0.7336 g/cm3(Temp: 0 °C)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1-Hexyne

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

Hazards SummaryIntraperitoneal LD50 (mouse) > 100 mg/kg; [RTECS] May cause irritation; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See Methylacetylene.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)