2-Buten-1-ol

HCID 20024CAS 6117-91-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC=CCO
InChIKey: WCASXYBKJHWFMY-UHFFFAOYSA-N
분자식: C4H8O
평균 분자량: 72.11 g/mol
단동위원소 질량: 72.05751488

개요

RN given refers to cpd without isomeric designation

이름 및 식별자

우선 이름: 2-Buten-1-ol
IUPAC: but-2-en-1-ol

이름 및 동의어

but-2-en-1-ol2-Buten-1-ol6117-91-5Crotonyl alcoholDTXSID2052283crotonolDTXCID2030855RefChem:406276(E)-2-Buten-1-ol2-Butenol2-BUTENE-1-OL2-Butenyl alcohol

이름 더 보기

3-Methylallyl alcoholKrotylalkohol [Czech]Crotyl alcohol (VAN)Crotonyl alcohol (VAN)UNII-D7F26UNN0BEINECS 228-086-7BRN 1719374AI3-14902

데이터베이스 식별자

CAS: 6117-91-5
PubChem CID: 20024
DTXSID: DTXSID2052283
EC Number: 228-086-7
Nikkaji: J2.040.004H

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 30.6

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesCoriolis coupling

Physical DescriptionClear light yellow liquid; [Acros Organics MSDS]

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P302+P352, P303+P361+P353, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 237 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Buten-1-ol

Crotyl alcohol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards SummaryAn irritant; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS] See 4-Hexen-1-ol and 3-Methyl-2-buten-1-ol.

Hazard Classes and Categories · 2건

Flam. Liq. 3 (100%)

Flammable agents - 3rd degree