2-히드록시-4,5-디메톡시벤즈알데히드

2-Hydroxy-4,5-dimethoxybenzaldehyde

HCID 10986908CAS 14382-91-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(O)c(C=O)cc1OC
InChIKey: XIKGRPKDQDFXLF-UHFFFAOYSA-N
분자식: C9H10O4
평균 분자량: 182.17 g/mol
단동위원소 질량: 182.0579088

이름 및 식별자

우선 이름: 2-Hydroxy-4,5-dimethoxybenzaldehyde
IUPAC: 2-hydroxy-4,5-dimethoxybenzaldehyde
현지명: 2-히드록시-4,5-디메톡시벤즈알데히드
영어명: 2-Hydroxy-4,5-diMethoxybenzaldehyde
분자식: C9H10O4
분자량: 182.17

이름 및 동의어

2-hydroxy-4,5-dimethoxybenzaldehyde14382-91-3DTXSID20450826RefChem:87407DTXCID70401646840-864-3MFCD00598182Benzaldehyde, 2-hydroxy-4,5-dimethoxy-4,5-dimethoxy-2-hydroxybenzaldehyde2-hydroxy-4,5-dimethoxy-benzaldehydeSCHEMBL333221CHEMBL3753940

이름 더 보기

2-히드록시-4,5-디메톡시벤즈알데히드2-hydroxy-4，5-dimethoxybenzenemethylaldehyde

SCHEMBL29730976XIKGRPKDQDFXLF-UHFFFAOYSA-N2-hydroxy 4,5dimethoxybenzaldehyde2-Hydroxy-45-dimethoxybenzaldehydePAA382912-hydroxy 4,5-dimethoxybenzaldehyde3,4-dimethoxy-6-hydroxybenzaldehydeEBC-12431

데이터베이스 식별자

CAS: 14382-91-3
PubChem CID: 10986908
DTXSID: DTXSID20450826
ChEMBL: CHEMBL3753940
EC Number: 840-864-3
Nikkaji: J1.082.808B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 105 °C · 105 °C
끓는 점: 315.8 · 315.8±37.0 °C(Predicted)
밀도: 1.234 · 1.234±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 8.3 · 8.30±0.23(Predicted)

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 2 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.