2-(4-하이드록시페닐)아세탈하이드

4-Hydroxyphenylacetaldehyde

HCID 440113CAS 7339-87-9

기본 정보

표준 SMILES: O=CCc1ccc(O)cc1
InChIKey: IPRPPFIAVHPVJH-UHFFFAOYSA-N
분자식: C8H8O2
평균 분자량: 136.15 g/mol
단동위원소 질량: 136.0524295

개요

(4-hydroxyphenyl)acetaldehyde is a member of phenylacetaldehydes and an alpha-CH2-containing aldehyde. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite.

이름 및 식별자

우선 이름: 4-Hydroxyphenylacetaldehyde
IUPAC: 2-(4-hydroxyphenyl)acetaldehyde
현지명: 2-(4-하이드록시페닐)아세탈하이드
영어명: 2-(4-HYDROXYPHENYL)ACETALDEHYDE
분자식: C8H8O2
분자량: 136.15

이름 및 동의어

2-(4-Hydroxyphenyl)acetaldehyde7339-87-94-Hydroxyphenylacetaldehydep-Hydroxyphenylacetaldehyde(4-hydroxyphenyl)acetaldehydepOH-Ph-CH2CHOHDJ7B4KB3XHPALCHEBI:15621DTXSID00223631RefChem:524060DTXCID30146122

이름 더 보기

2-(4-하이드록시페닐)아세탈하이드AKOS BB-98134-(2-Oxoethyl)phenolAtenolol Impurity 184-Hydroxy phenylacet dehyde4-Hydroxybenzeneacetaldehyde2-(4-YDROXYPHENYL)ACETALDEHYDE

689-849-14-hydroxyphenyl acetaldehydeBenzeneacetaldehyde, 4-hydroxy-MFCD034110434-Hydroxyphenylacetaldehyde, approximately ~15% wt/vol in Ethyl Acetate4-hydoxyphenylacetaldehydeUNII-HDJ7B4KB3XSCHEMBL105690

데이터베이스 식별자

CAS: 7339-87-9
PubChem CID: 440113
DTXSID: DTXSID00223631
ChEBI: CHEBI:15621
UNII: HDJ7B4KB3X
EC Number: 689-849-1
Nikkaji: J707.372K

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 104

실험 및 물리화학적 성질

LogP1.379

Physical DescriptionSolid

물리화학적 성질

녹는점: 118 ℃ · 118℃
끓는 점: 281.4 · 281.4±15.0℃ (760 Torr)
밀도: 1.153 · 1.153±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 117.9 · 117.9±13.0℃
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 9.93 · 9.93±0.15(Predicted)
색상: Clear, colourless to yellow

화학적 성질

Pale Yellow Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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