1-Hexyne

HCID 12732CAS 26856-30-4

기본 정보

표준 SMILES: C#CCCCC
InChIKey: CGHIBGNXEGJPQZ-UHFFFAOYSA-N
분자식: C6H10
평균 분자량: 82.14 g/mol
단동위원소 질량: 82.07825032

개요

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.

이름 및 식별자

우선 이름: 1-Hexyne
IUPAC: hex-1-yne
영어명: 1-Hexyne
분자식: C6H10
분자량: 0

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 53.7

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

LogP2.73

Vapor Pressure133.0 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -131.9 °C · -131.9 °C
끓는 점: 71.3 °C · 71.3 °C
밀도: 0.7336 g/cm3 · 0.7336 g/cm3(Temp: 0 °C)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)