2,3-Dimethoxyphenol

HCID 78828CAS 25155-26-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(O)c1OC
InChIKey: QSZCGGBDNYTQHH-UHFFFAOYSA-N
분자식: C8H10O3
평균 분자량: 154.16 g/mol
단동위원소 질량: 154.06299418

개요

2,3-dimethoxyphenol is a member of phenols and a member of methoxybenzenes.

이름 및 식별자

우선 이름: 2,3-Dimethoxyphenol
IUPAC: 2,3-dimethoxyphenol
영어명: 2,3-Dimethoxyphenol
분자식: C8H10O3
분자량: 154.16

이름 및 동의어

2,3-Dimethoxyphenol5150-42-5Phenol, 2,3-dimethoxy-1-Hydroxy-2,3-dimethoxybenzenedimethoxy-phenolOW147I6C84NSC 80659NSC-80659EINECS 225-922-2RefChem:442450Phenol, 2,3-dimethoxy-(8CI)Phenol, 2,3-dimethoxy-(8CI)(9CI)

이름 더 보기

2,3-Dimethoxyphenol96%2,3-Dimethoxyphenol,99%2,3-Dimethoxyphenol 96%2,3-Dimethoxyphenol, 98%,2,3-DiMethoxyphenol, 99% 5GRPYROGALLOL-1,2-DIMETHYL ETHER2,3-Dimethoxyphenol, typically 98%

225-922-22,3-dimethoxy-phenolMFCD00008366UNII-OW147I6C842.3-Dimethoxyphenol25155-26-42,3-dim ethoxyphenol2,3-dimethoxy phenol

데이터베이스 식별자

CAS: 25155-26-4、5150-42-5
PubChem CID: 78828
DTXSID: DTXSID001364326
ChEBI: CHEBI:193967
UNII: OW147I6C84
EC Number: 225-922-2
Nikkaji: J297.914D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 116

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 233 · 233-234 °C (lit.)
밀도: 1.182 g/mL · 1.182 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.539(lit.)
인화점: 228 °F · 228 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름에 용해됩니다.
물리적 상태: 액체
산도 계수 (pKa): 9.59 · 9.59±0.10(Predicted)
색상: 투명한 주황색에서 갈색까지
BRN: 1910045 · 1910045
InChI: 1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3
InChIKey: QSZCGGBDNYTQHH-UHFFFAOYSA-N
SMILES: COc1cccc(O)c1OC
LogP: 1.143 · 1.143 (est)
NIST: 2 · 2,3-Dimethoxyphenol(5150-42-5)

화학적 성질

CLEAR ORANGE TO BROWNISH LIQUID

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39-37
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,3-Dimethoxyphenol is used to study the nitrosative deamination of DNA bases induced by reactive nitrogen species (RNS) while studying the cause of mutagenesis.

일반 설명2,3-Dimethoxyphenol is a plant-derived phenylpropanoid compound that is glycosidated to form glycoside compound.