4-(3-Butyn-1-yl)benzenemethanol

HCID 23596609CAS 690264-16-5

기본 정보

표준 SMILES: C#CCCc1ccc(CO)cc1
InChIKey: DIXFBKMHPRWHAT-UHFFFAOYSA-N
분자식: C11H12O
평균 분자량: 160.21 g/mol
단동위원소 질량: 160.088815

이름 및 식별자

우선 이름: 4-(3-Butyn-1-yl)benzenemethanol
IUPAC: (4-but-3-ynylphenyl)methanol

이름 및 동의어

[4-(but-3-yn-1-yl)phenyl]methanol690264-16-5(4-(But-3-yn-1-yl)phenyl)methanol4-(3-Butyn-1-yl)benzenemethanolDTXSID801304324RefChem:513117DTXCID301734342834-883-6(4-but-3-ynyl-phenyl)-methanol(4-but-3-ynylphenyl)methanolSCHEMBL4518091DIXFBKMHPRWHAT-UHFFFAOYSA-N

이름 더 보기

QCB26416CS-0312402EN300-177072A1-21568

데이터베이스 식별자

CAS: 690264-16-5
PubChem CID: 23596609
DTXSID: DTXSID801304324
EC Number: 834-883-6

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 157

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.