4-에톡시-3-히드록시벤즈알데히드

4-Ethoxy-3-hydroxybenzaldehyde

HCID 75679

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2539-53-9
표준 SMILES: CCOc1ccc(C=O)cc1O
InChIKey: BCLVKHGKEGFPJV-UHFFFAOYSA-N
분자식: C9H10O3
평균 분자량: 166.17 g/mol
단동위원소 질량: 166.06299418

이름 및 식별자

우선 이름: 4-Ethoxy-3-hydroxybenzaldehyde
IUPAC: 4-ethoxy-3-hydroxybenzaldehyde
현지명: 4-에톡시-3-히드록시벤즈알데히드
영어명: 4-ethoxy-3-hydroxybenzaldehyde
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

4-Ethoxy-3-hydroxybenzaldehydeIsoethylvanillinEthylisovanillineBenzaldehyde, 4-ethoxy-3-hydroxy-ZXT8NHP4HBBRN 2048366EINECS 219-812-3UNII-ZXT8NHP4HBDTXSID00625054-08-00-01765 (Beilstein Handbook Reference)RefChem:98826DTXCID4037293

이름 더 보기

4-에톡시-3-히드록시벤즈알데히드ethyl isovanilline3-Hydroxy-4-Ethoxy-Benzaldehyde

219-812-3BCLVKHGKEGFPJV-UHFFFAOYSA-N2539-53-94-ethoxy-3-hydroxy benzaldehyde4-ethoxy-3-hydroxy-benzaldehydeMFCD008375913-hydroxy-4-ethoxybenzaldehyde3-hydroxy4-ethoxybenzaldehyde

데이터베이스 식별자

CAS: 2539-53-9
PubChem CID: 75679
DTXSID: DTXSID0062505
UNII: ZXT8NHP4HB
EC Number: 219-812-3
Nikkaji: J176G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 125 °C · 125 °C
끓는 점: 178 °C · 178°C (estimate)
밀도: 1.1097 · 1.1097 (rough estimate)
굴절률: 1.4371 · 1.4371 (estimate)
산도 계수 (pKa): 9.38 · 9.38±0.10(Predicted)
LogP: 1.759 · 1.759 (est)
EPA: 4 · Benzaldehyde, 4-ethoxy-3-hydroxy- (2539-53-9)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.