3,5-디메톡시-4-메틸벤조산

3,5-Dimethoxy-4-methylbenzoic acid

HCID 3764486

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61040-81-1
표준 SMILES: COc1cc(C(=O)O)cc(OC)c1C
InChIKey: QIBMVRYNEXOCCF-UHFFFAOYSA-N
분자식: C10H12O4
평균 분자량: 196.2 g/mol
단동위원소 질량: 196.07355886

이름 및 식별자

우선 이름: 3,5-Dimethoxy-4-methylbenzoic acid
IUPAC: 3,5-dimethoxy-4-methylbenzoic acid
현지명: 3,5-디메톡시-4-메틸벤조산
영어명: 3,5-Dimethoxy-4-methylbenzoic acid
분자식: C10H12O4
분자량: 196.2

이름 및 동의어

3,5-dimethoxy-4-methylbenzoic acid61040-81-1DTXSID30396100RefChem:91560DTXCID40346959612-068-4QIBMVRYNEXOCCF-UHFFFAOYSA-NMFCD000175063,5-dimethoxy-4-methyl-benzoic AcidBenzoic acid,3,5-dimethoxy-4-methyl-SCHEMBL6685403,5-dimethoxy4-methylbenzoic acid

이름 더 보기

3,5-디메톡시-4-메틸벤조산LABOTEST-BB LT004554473,5-DIMETHOXY-4-METHYLBENZOATE5-DiMethoxy-4-Methylbenzoic acid

4-methyl-3,5-dimethoxybenzoic acid3,5-DIMETHOXY-4-METHYLBENZOICACID3,5-DIMETHOXY-P-TOLUIC ACIDBenzoic acid, 3,5-dimethoxy-4-methyl-V4LV2KNQ9N3,5-dimethoxy-4-methyl beSCHEMBL1082465035-Dimethoxy-4-methylbenzoic acid

데이터베이스 식별자

CAS: 61040-81-1
PubChem CID: 3764486
DTXSID: DTXSID30396100
UNII: V4LV2KNQ9N
EC Number: 612-068-4
Nikkaji: J1.310.881A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 190

물리화학적 성질

녹는점: 210 · 210-216°C
끓는 점: 347.7 · 347.7±37.0 °C(Predicted)
밀도: 1.18 · 1.180±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 액체 암모니아에 용해됩니다.
산도 계수 (pKa): 4.13 · 4.13±0.10(Predicted)
BRN: 2695238 · 2695238

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)

안전 데이터

HS 번호: 2918999090
risk_code: 36/37/38
safety_code: 26-37

화학 및 산업

응용 분야

용도3,5-Dimethoxy-4-methylbenzoic acid undergoes reduction in the presence of sodium in ethanol to prepare 1,4-dihydro-3,5-dimethoxy- kmethylbenzoic acid.