메틸3,5-디히드록시-4-메틸벤조에이트

Methyl 3,5-dihydroxy-4-methylbenzoate

HCID 11458051

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 75238-29-8
표준 SMILES: COC(=O)c1cc(O)c(C)c(O)c1
InChIKey: YVVWRFQRKJIERW-UHFFFAOYSA-N
분자식: C9H10O4
평균 분자량: 182.17 g/mol
단동위원소 질량: 182.0579088

이름 및 식별자

우선 이름: Methyl 3,5-dihydroxy-4-methylbenzoate
IUPAC: methyl 3,5-dihydroxy-4-methylbenzoate
현지명: 메틸3,5-디히드록시-4-메틸벤조에이트
영어명: Methyl 3,5-dihydroxy-4-methylbenzoate
분자식: C9H10O4
분자량: 182.17

이름 및 동의어

75238-29-8METHYL 3,5-DIHYDROXY-4-METHYLBENZOATEDTXSID80466468RefChem:354570DTXCID70417287834-734-53,5-DIHYDROXY-4-METHYLBENZOIC ACID METHYL ESTERMETHYL3,5-DIHYDROXY-4-METHYLBENZOATE3,5-Dihydroxy-4-methylbenzoic acid methyl ester, 95%Benzoic acid, 3,5-dihydroxy-4-methyl-, methyl esterMethyl 3,5-dihydroxy-4-methyl-benzoateSCHEMBL1919075

이름 더 보기

메틸3,5-디히드록시-4-메틸벤조에이트3,5-Dihydroxy-p-toluic acid methyl ester (COOCH3=1)

YVVWRFQRKJIERW-UHFFFAOYSA-NAKOS006274623FD67717MS-9829Methyl 3, 5-dihydroxy-4-methylbenzoateEN300-118219G197663,5-Dihydroxy-4-methyl-benzoic acid methyl ester

데이터베이스 식별자

CAS: 75238-29-8
PubChem CID: 11458051
DTXSID: DTXSID80466468
EC Number: 834-734-5
Nikkaji: J1.919.973H

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 180

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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.