3-하이드록시페닐알코올

3-Hydroxyphenethyl alcohol

HCID 83404CAS 13398-94-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCCc1cccc(O)c1
InChIKey: AMQIPHZFLIDOCB-UHFFFAOYSA-N
분자식: C8H10O2
평균 분자량: 138.16 g/mol
단동위원소 질량: 138.06807956

이름 및 식별자

우선 이름: 3-Hydroxyphenethyl alcohol
IUPAC: 3-(2-hydroxyethyl)phenol
현지명: 3-하이드록시페닐알코올
영어명: 3-HYDROXYPHENETHYL ALCOHOL
분자식: C8H10O2
분자량: 138.16

이름 및 동의어

3-Hydroxyphenethyl alcohol2D3F6MU88ZEINECS 236-485-2NSC-101846DTXSID40158438NSC 101846RefChem:502585DTXCID8080929236-485-213398-94-23-(2-Hydroxyethyl)phenol2-(3-Hydroxyphenyl)ethanol

이름 더 보기

3-하이드록시페닐알코올m-Tyrosol2-(3-Hydroxyphenyl)ethanol 99%

Benzeneethanol, 3-hydroxy-3-Hydroxybenzeneethanol3-HydroxyphenethylalcoholMFCD00002895Phenethyl alcohol, m-hydroxy-m-Hydroxyphenethyl alcoholm-Phenethyl alcoholUNII-2D3F6MU88Z

데이터베이스 식별자

CAS: 13398-94-2
PubChem CID: 83404
DTXSID: DTXSID40158438
ChEMBL: CHEMBL54498
UNII: 2D3F6MU88Z
EC Number: 236-485-2
Nikkaji: J119.464J

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

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1384

2318；2415

물리화학적 성질

끓는 점: 168 · 168-173 °C/4 mmHg (lit.)
밀도: 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.564(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 9.89 · 9.89±0.10(Predicted)
BRN: 2433753 · 2433753
InChI: 1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2
InChIKey: AMQIPHZFLIDOCB-UHFFFAOYSA-N
SMILES: OCCc1cccc(O)c1
LogP: 0.827 · 0.827 (est)

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.