4-히드록시-3,5-디메틸벤즈알데히드
3,5-Dimethyl-4-hydroxybenzaldehyde
기본 정보
- CAS
2233-18-3- 표준 SMILES
Cc1cc(C=O)cc(C)c1O- InChIKey
UYGBSRJODQHNLQ-UHFFFAOYSA-N- 분자식
- C9H10O2
- 평균 분자량
- 150.17 g/mol
- 단동위원소 질량
- 150.06807956
개요
do not confuse with 2,2-dimethyl-3-hydroxybutyric acid, also known as DMHB
이름 및 식별자
- 우선 이름
- 3,5-Dimethyl-4-hydroxybenzaldehyde
- IUPAC
- 4-hydroxy-3,5-dimethylbenzaldehyde
- 현지명
- 4-히드록시-3,5-디메틸벤즈알데히드
- 영어명
- 3,5-Dimethyl-4-hydroxybenzaldehyde
- 분자식
- C9H10O2
- 분자량
- 150.17
이름 및 동의어
3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-34-Hydroxy-3,5-dimethylbenzaldehydeBenzaldehyde, 4-hydroxy-3,5-dimethyl-4-Formyl-2,6-xylenol23PA2PMP9FNSC-128405DTXSID8062282RefChem:486987DMHB-3,5DTXCID2036665218-774-5
이름 더 보기
4-히드록시-3,5-디메틸벤즈알데히드3,5-다이메틸-4-하이드록시벤즈알데히드3,5-디메틸-4-히드록시벤즈알데히드SyringnldehydeBUTTPARK 96\57-683,5-Dimethyl-4-hydro4-Hydroxy-3,5-dimethyL3,5-Dimethyl-4-Hydroxybenzalde3,5-Dimethyl-4-Hydorxybenzaldehyde4-hydroxy-3,5-dimethyl-benzaldehyd3,5-Dimethyl-4-hydroxybenzaidehyde
4-Hydroxy-3,5-DiMethyl-BenzaldehydeMFCD00006946EINECS 218-774-5NSC 128405Benzaldehyde,5-dimethyl-UNII-23PA2PMP9F4-formyl-2,6-dimethylphenolSCHEMBL143965
데이터베이스 식별자
- CAS
2233-18-3- PubChem CID
- 75222
- DTXSID
DTXSID8062282- UNII
- 23PA2PMP9F
- EC Number
- 218-774-5
- Nikkaji
- J213.125K
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 132
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 112 · 112-114 °C(lit.)
- 끓는 점
- 231.72 °C · 231.72°C (rough estimate)
- 밀도
- 1.0858 · 1.0858 (rough estimate)
- 굴절률
- 1.518 · 1.5180 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.48 · 8.48±0.23(Predicted)
- 색상
- 황백색에서 연한 노란색
- BRN
- 1908717 · 1908717
- InChI
- InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3
- InChIKey
- UYGBSRJODQHNLQ-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(C)=C(O)C(C)=C1
- EPA
- 4 · Benzaldehyde, 4-hydroxy-3,5-dimethyl- (2233-18-3)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzaldehyde, 4-hydroxy-3,5-dimethyl-
Status: Active Update: 11-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20636
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29124990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzaldehyde, 4-hydroxy-3,5-dimethyl-: INACTIVE
응용 분야
용도3,5-Dimethyl-4-hydroxybenzaldehyde is used as a reagent in the synthesis of new diarylaniline analogs which were evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitor agents. Also used in preparation of novel benzimidazole-5-carboxylate and its hydrazone derivatives which show potential for use as anti-inflammatory and antimicrobial agents.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
176건
화합물 노트
불러오는 중…