3-(4-Hydroxyphenyl)propanol

HCID 82452CAS 10210-17-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCCCc1ccc(O)cc1
InChIKey: NJCVPQRHRKYSAZ-UHFFFAOYSA-N
분자식: C9H12O2
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.08372962

개요

3-(4-Hydroxyphenyl)-1-propanol is a member of phenols.

이름 및 식별자

우선 이름: 3-(4-Hydroxyphenyl)propanol
IUPAC: 4-(3-hydroxypropyl)phenol
영어명: 3-(4-HYDROXYPHENYL)-1-PROPANOL
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

HPP cpd3-(4-hydroxyphenyl)propanolRefChem:4931463-(4-Hydroxyphenyl)-1-propanol10210-17-04-(3-Hydroxypropyl)phenolBenzenepropanol, 4-hydroxy-3-(4-Hydroxyphenyl)propan-1-olMFCD00002953Dihydro-p-coumaryl alcohol4-(3-hydroxy-propyl)-phenol3-(p-Hydroxyphenyl)-1-propanol

이름 더 보기

4-Hydroxybenzene-1-propanol3-(4-Hydroxyphenyl)-1-propal4-Hydroxyhydrocinnamyl alcohol

AI3-121084-hydroxybenzenepropanol1-Propanol, 3-(p-hydroxyphenyl)-4-Hydroxy-BenzenepropanolEINECS 233-511-41DJM7P148S3-(p-Hydroxyphenyl)propan-1-ol1-(4-Hydroxyphenyl)-3-propanol

데이터베이스 식별자

CAS: 10210-17-0
PubChem CID: 82452
DTXSID: DTXSID80144638
ChEBI: CHEBI:179258
UNII: 1DJM7P148S
EC Number: 233-511-4
Nikkaji: J227.110I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 95.7

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

Melting Point55 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 51 · 51-54 °C (lit.)
끓는 점: 170 °C · 170 °C(Press: 2 Torr)
밀도: 1.129 · 1.129±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 10.05 · 10.05±0.15(Predicted)
색상: 미색부터 옅은 갈색까지
InChI: 1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
InChIKey: NJCVPQRHRKYSAZ-UHFFFAOYSA-N
SMILES: OCCCc1ccc(O)cc1
LogP: 1.14 · 1.140 (est)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.