CAS 10602-08-1 (2-Ethynylphenyl)methanol (HCID 11007947)

기본 정보

CAS: 10602-08-1
표준 SMILES: C#Cc1ccccc1CO
InChIKey: ZKCWIJQOZHADEM-UHFFFAOYSA-N
분자식: C9H8O
평균 분자량: 132.16 g/mol
단동위원소 질량: 132.05751488

이름 및 식별자

우선 이름: (2-Ethynylphenyl)methanol
IUPAC: (2-ethynylphenyl)methanol
현지명: 2-에틸벤질알코올97
영어명: 2-ETHYNYLBENZYL ALCOHOL 97
분자식: C9H8O
분자량: 132.16

이름 및 동의어

(2-ethynylphenyl)methanol10602-08-12-Ethynylbenzyl alcohol2-Ethynyl-benzenemethanol2-EthynylbenzenemethanolBenzenemethanol,2-ethynyl-2-ETHYNYLBENZYL ALCOHOL 97MFCD062006812-ethynyl-benzyl alcohol2-(ethynyl)benzyl alcoholSCHEMBL1497282-Ethynylbenzyl alcohol, 95%

이름 더 보기

2-에틸벤질알코올972-Ethynylbenzyl alcohol 95%2-ETHYNYLBENZYL ALCOHOL 97Benzenemethanol, 2-ethynyl-(2-Ethynylphenyl)methanol - [E88921]

DTXSID60451579AKOS015912570BS-45036CS-0188006A50664EN300-1856550ZKCWSCHEMBL1253891

데이터베이스 식별자

CAS: 10602-08-1
PubChem CID: 11007947
DTXSID: DTXSID60451579
EC Number: 628-431-5
Nikkaji: J1.084.350B

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: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 142

물리화학적 성질

녹는점: 66 · 66-70 °C(lit.)
끓는 점: 254 · 254.0±23.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 14.1 · 14.10±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C9H8O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-6,10H,7H2
InChIKey: ZKCWIJQOZHADEM-UHFFFAOYSA-N
SMILES: OCc1ccccc1C#C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.