1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
기본 정보
- CAS
705-15-7- 표준 SMILES
COc1ccc(O)c(C(C)=O)c1- InChIKey
MLIBGOFSXXWRIY-UHFFFAOYSA-N- 분자식
- C9H10O3
- 평균 분자량
- 166.17 g/mol
- 단동위원소 질량
- 166.06299418
이름 및 식별자
- 우선 이름
- 1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
- IUPAC
- 1-(2-hydroxy-5-methoxyphenyl)ethanone
- 영어명
- 2'-Hydroxy-5'-methoxyacetophenone
- 분자식
- C9H10O3
- 분자량
- 166.17
이름 및 동의어
2'-Hydroxy-5'-methoxyacetophenone1-(2-Hydroxy-5-methoxyphenyl)ethanone1-(2-Hydroxy-5-methoxyphenyl)ethan-1-oneEthanone, 1-(2-hydroxy-5-methoxyphenyl)-EINECS 211-882-3AI3-26008DTXSID402207651(2Hydroxy5methoxyphenyl)ethan1oneNSC 338218RefChem:4222072'Hydroxy5'methoxyacetophenoneDTXCID70143256
이름 더 보기
2'-HydroASISCHEM D38760sulfosulfamic acid2'-Hydroxy-5'-methoxyacetophene
Ethanone, 1(2hydroxy5methoxyphenyl)211-882-3705-15-72-Hydroxy-5-methoxyacetophenoneMFCD000087315-Methoxy-2-hydroxyacetophenoneAcetophenone, 2'-hydroxy-5'-methoxy-1-(2-hydroxy-5-methoxy-phenyl)-ethanone
데이터베이스 식별자
- CAS
705-15-7- PubChem CID
- 69714
- DTXSID
DTXSID40220765- ChEMBL
CHEMBL5266130- EC Number
- 211-882-3
- Nikkaji
- J47.693E
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 167
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials PropertiesChemical shift
Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 52 °C · 52 °C(lit.)
- 끓는 점
- 254.38 °C · 254.38°C (rough estimate)
- 밀도
- 1.1708 · 1.1708 (rough estimate)
- 굴절률
- 1.55 · 1.5500 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 10.65 · 10.65±0.18(Predicted)
- 색상
- 노란색
- 냄새
- Aromatic, somewhat medicinal, warm, woody -the herbaceous odour of good tenacity.
- BRN
- 1239364 · 1239364
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Acetophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29145090
- risk_code
- 37/38-41-36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36/37/39-22
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2′-Hydroxy-5′-methoxyacetophenone is observed as a side reaction product of elbs persulphate oxidation of phenols. 2-Hydroxy-5-methoxyacetophenone is also used to prepare substituted chromanone and chromone derivatives as sirtuin 2-selective inhibitors.
일반 설명2′-Hydroxy-5′-methoxyacetophenone is observed as a side reaction product of elbs persulphate oxidation of phenols.
제조 방법
reparation by reaction of dimethyl sulfate on 2,5-dihydroxyacetophenone, with potassium carbonate in acetone at r.t. (74%) ; with aqueous sodium hydroxide solution at reflux (35%).
상·하류 제품 정보
상류 원료
관련 반응
35건
화합물 노트
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