2-하이드록시페닐알코올

2-(2-Hydroxyethyl)phenol

HCID 82200CAS 7768-28-7

기본 정보

표준 SMILES: OCCc1ccccc1O
InChIKey: ABFCOJLLBHXNOU-UHFFFAOYSA-N
분자식: C8H10O2
평균 분자량: 138.16 g/mol
단동위원소 질량: 138.06807956

개요

2-(2-hydroxyphenyl)ethanol is a phenol that is 2-phenylethanol in which the phenyl ring is substituted at position 2 by a hydroxy group. It has a role as a metabolite. It is functionally related to a 2-phenylethanol.

이름 및 식별자

우선 이름: 2-(2-Hydroxyethyl)phenol
IUPAC: 2-(2-hydroxyethyl)phenol
현지명: 2-하이드록시페닐알코올
영어명: 2-Hydroxyphenethyl alcohol
분자식: C8H10O2
분자량: 138.16

이름 및 동의어

2-(2-Hydroxyethyl)phenol7768-28-72-(2-Hydroxyphenyl)ethanol2-Hydroxyphenylethanol2-Hydroxybenzeneethanolo-hydroxyphenylethanolC6AV79GN9FNSC-101845CHEBI:64803DTXSID90228312oHPERefChem:453965

이름 더 보기

2-하이드록시페닐알코올

DTXCID10150803231-863-32-Hydroxyphenethyl alcoholBenzeneethanol, 2-hydroxy-MFCD00002890o-(2-Hydroxyethyl)phenol2-(o-Hydroxyphenyl)ethanolo-Hydroxyphenethyl alcohol

데이터베이스 식별자

CAS: 7768-28-7
PubChem CID: 82200
DTXSID: DTXSID90228312
ChEMBL: CHEMBL4075005
ChEBI: CHEBI:64803
UNII: C6AV79GN9F
EC Number: 231-863-3
Nikkaji: J28.495E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 93.3

물리화학적 성질

끓는 점: 168 · 168-169 °C2 mm Hg(lit.)
밀도: 1.159 g/mL · 1.159 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.559(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, DMSO(약간), 메탄올(약간)에 용해됨
산도 계수 (pKa): 10.24 · 10.24±0.30(Predicted)
물리적 상태: 점성 액체
색상: 투명한 노란색에서 황갈색을 띤다.
안정성: 감광성
InChI: InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2
InChIKey: ABFCOJLLBHXNOU-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC=C1O
LogP: 1.31 · 1.310 (est)

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 18-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22844

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 2
HS 번호: 29072990
risk_code: 22-41-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39-36
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-Hydroxybenzeneethanol can be used to synthesize cyclic products and organoaluminim oligomers. Inelastic electron tunnelling spectra of 2-hydroxyphenethyl alcohol adsorbed on thin-film aluminium and magnesium oxide has been investigated.

일반 설명2-Hydroxyphenethyl alcohol reacts with triethyl or trimethyl aluminium to yield cyclic products and organoaluminim oligomers. Inelastic electron tunnelling spectra of 2-hydroxyphenethyl alcohol adsorbed on thin-film aluminium and magnesium oxide has been investigated.