3-Hexen-1-ol

HCID 10993CAS 544-12-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC=CCCO
InChIKey: UFLHIIWVXFIJGU-UHFFFAOYSA-N
분자식: C6H12O
평균 분자량: 100.16 g/mol
단동위원소 질량: 100.088815

개요

3-Hexen-1-ol has been reported in Perilla frutescens, Artemisia princeps, and other organisms with data available.

이름 및 식별자

우선 이름: 3-Hexen-1-ol
IUPAC: hex-3-en-1-ol

이름 및 동의어

Hex-3-en-1-ol3-Hexen-1-ol544-12-7DTXSID3047217CHEBI:1457152PL1637OP6RefChem:911341DTXCID1027217208-860-0gamma-Hexenol(Z)-3-Hexen-1-oSCHEMBL96294

이름 더 보기

SCHEMBL96295(E);-Hex-3-en-1-ol3-HEXEN-1-OL, TECHSCHEMBL3866804SCHEMBL6272941SCHEMBL7366787SCHEMBL16445265AKOS025243595

데이터베이스 식별자

CAS: 544-12-7
PubChem CID: 10993
DTXSID: DTXSID3047217
EC Number: 208-860-0

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 48.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (3-Hexen-1-ol (isomer unspecified)) -> IFRA transparency List

Flavoring AgentsEU Flavoring substances

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (90.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 265 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 3-Hexen-1-ol

3-Hexen-1-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (90.6%)