메틸3-메틸레조실레이트
Benzoic acid, 2,4-dihydroxy-3-methyl-, methyl ester
기본 정보
- CAS
33662-58-7- 표준 SMILES
COC(=O)c1ccc(O)c(C)c1O- InChIKey
GDNUTKRFRLPQAB-UHFFFAOYSA-N- 분자식
- C9H10O4
- 평균 분자량
- 182.17 g/mol
- 단동위원소 질량
- 182.0579088
이름 및 식별자
- 우선 이름
- Benzoic acid, 2,4-dihydroxy-3-methyl-, methyl ester
- IUPAC
- methyl 2,4-dihydroxy-3-methylbenzoate
- 현지명
- 메틸3-메틸레조실레이트
- 영어명
- Methyl 2,4-dihydroxy-3-methylbenzoate
- 분자식
- C9H10O4
- 분자량
- 182.17
이름 및 동의어
Methyl 2,4-dihydroxy-3-methylbenzoate33662-58-7Methyl 3-methylresorcylateBenzoic acid, 2,4-dihydroxy-3-methyl-, methyl esterUNII-JFF48NPZ44JFF48NPZ44SEAMOSSEINECS 251-618-4DTXSID3067782Benzoic acid, (2,4-dihydroxy-3-methyl)-, methyl ester2,4-Dihydroxy-3-methylbenzoic acid, methyl ester.BETA.-RESORCYLIC ACID, 3-METHYL-, METHYL ESTER
이름 더 보기
메틸3-메틸레조실레이트메틸2,4-디히드록시-3-메틸벤조에이트MethyldihydroxymethylbenzoateMethyl 2,4-dihydroxy-m-toluatmethyl 2,4-dihydroxy-m-toluateMethyl 3-methyl-beta-resorcylate2,4-dihydroxy-3-methyl-benzoicacimethylesterBenzoicacid,2,4-dihydroxy-3-methyl-,methylester2,4-Dihydroxy-3-Methyl-Benzoic Acid Methyl E2,4-dihydroxy-3-methyl-benzoic acid methyl ester
3-METHYL-2,4-DIHYDROXYBENZOIC ACID METHYL ESTERRefChem:118297DTXCID3038723METHYL 3-METHYLRESORCYLATE [INCI]BETA-RESORCYLIC ACID, 3-METHYL-, METHYL ESTER251-618-4Methyl 2,4-dihydroxy-3-methyl-benzoatesea resorcylate
데이터베이스 식별자
- CAS
33662-58-7- PubChem CID
- 118521
- DTXSID
DTXSID3067782- ChEMBL
CHEMBL4161014- UNII
- JFF48NPZ44
- EC Number
- 251-618-4
- Nikkaji
- J308.515E
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 192
실험 및 물리화학적 성질
CosmeticsMasking
FragrancesFragrance Ingredient (Methyl 2,4-dihydroxy-m-toluate) -> IFRA transparency List
물리화학적 성질
- 녹는점
- 125 · 125-127°C
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 오크모스 스위트 씨사이드 페놀릭
- 냄새 유형
- 이끼 낀
- 화장품 원료 기능
- 향기
- LogP
- 2.603 · 2.603 (est)
- EPA
- 2 · Benzoic acid, 2,4-dihydroxy-3-methyl-, methyl ester (33662-58-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 46.4% (77 of 166) of reports.
Warning
H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 166 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 2,4-dihydroxy-3-methyl-, methyl ester
Benzoic acid, 2,4-dihydroxy-3-methyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (24.1%)
안전 데이터
- tsca
- TSCA listed
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 위험 등급
- IRRITANT
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Cosmetics -> Masking
General Manufacturing InformationBenzoic acid, 2,4-dihydroxy-3-methyl-, methyl ester: ACTIVE
관련 반응
6건
화합물 노트
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