Methyl 2,4-Dihydroxybenzoate

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기본 정보

CAS: 2150-47-2
표준 SMILES: COC(=O)c1ccc(O)cc1O
InChIKey: IIFCLXHRIYTHPV-UHFFFAOYSA-N
분자식: C8H8O4
평균 분자량: 168.15 g/mol
단동위원소 질량: 168.04225874

개요

methyl 2,4-dihydroxybenzoate has been reported in Pueraria montana var. lobata and Maclura tricuspidata with data available.

이름 및 식별자

우선 이름: Methyl 2,4-Dihydroxybenzoate
IUPAC: methyl 2,4-dihydroxybenzoate
영어명: Methyl 2,4-dihydroxybenzoate
분자식: C8H8O4
분자량: 168.15

이름 및 동의어

METHYL 2,4-DIHYDROXYBENZOATE2150-47-2Methyl beta-resorcylate2,4-Dihydroxybenzoic acid methyl esterBenzoic acid, 2,4-dihydroxy-, methyl esterMethyl-2,4-dihydroxybenzoate.beta.-Resorcylic acid, methyl esterMethyl .beta.-resorcylateXE68BU3OYJORISTAR MDHB24EINECS 218-428-3AI3-31503

이름 더 보기

2,4-DihydroxybenzoateAKOS BBS-000029134-dihydroxybenzoateRARECHEM AL BF 0221METHYL B-RESORCYLATEMethyl-2,4-dihydroxymethyl á-resorcylateMethyl β-Resorcylate

DTXSID2022177RefChem:812940DTXCID302177beta-Resorcylic acid, methyl esterMETHYL 2,4-DIHYDROXYBENZOATE [INCI]218-428-3MFCD00002276CHEMBL486026

데이터베이스 식별자

CAS: 2150-47-2
PubChem CID: 16523
DTXSID: DTXSID2022177
ChEMBL: CHEMBL486026
UNII: XE68BU3OYJ
EC Number: 218-428-3
Nikkaji: J127.960B

물성

구조 계산 물성보충 중

XLogP: 2
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 168

물리화학적 성질

녹는점: 118 · 118-121 °C (lit.)
끓는 점: 257.07 °C · 257.07°C (rough estimate)
밀도: 1.3037 · 1.3037 (rough estimate)
굴절률: 1.509 · 1.5090 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됩니다.
산도 계수 (pKa): 8.14 · 8.14±0.18(Predicted)
물리적 상태: 가루
색상: 흰색에서 베이지색
화장품 원료 기능: 피부 컨디셔닝
InChI: InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3
InChIKey: IIFCLXHRIYTHPV-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(O)C=C1O
LogP: 1.92 · 1.920 (est)
NIST: 2 · Methyl 2,4-dihydroxybenzoate(2150-47-2)
EPA: -2 · Methyl-2,4-dihydroxybenzoate (2150-47-2)

화학적 성질

white to beige powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzoic acid, 2,4-dihydroxy-, methyl ester

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 2,4-dihydroxy-, methyl ester: ACTIVE

응용 분야

용도Methyl 2,4-dihydroxybenzoate is used as a cosmetic agents. And it is used in synthesis of raw material for fine chemicals, organic intermediate, pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

Benzoic acid, 2,4-bis(acetyloxy)-, methyl ester 3,9-Dioxa-2,10-disilaundeca-4,6-diene, 4-methoxy-2,2,10,10-tetramethyl-8-methylene-6-[(trimethylsilyl)oxy]-Benzoic acid, 2,4-dihydroxy-, (6R,13R)-7,13-dihydro-3-hydroxy-10-(6-hydroxy-2-benzofuranyl)-6-methyl-7-oxo-6,13-methano-6H-benzofuro[3,2-d][1]benzoxocin-8-yl ester, rel-(+)-6,13-Methano-6H-benzofuro[3,2-d][1]benzoxocin-7(13H)-one, 3,8-dihydro-10-(6-hydroxy-2-benzofuranyl)-6-methyl-, (6α,13α)- (9CI)Benzoic acid, 2-hydroxy-4-(2-propenyloxy)-, methyl ester

화합물 노트

불러오는 중…

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기본 정보

CAS: 2150-47-2
표준 SMILES: COC(=O)c1ccc(O)cc1O
InChIKey: IIFCLXHRIYTHPV-UHFFFAOYSA-N
분자식: C8H8O4
평균 분자량: 168.15 g/mol
단동위원소 질량: 168.04225874

개요

methyl 2,4-dihydroxybenzoate has been reported in Pueraria montana var. lobata and Maclura tricuspidata with data available.