1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one

HCID 69714CAS 705-15-7
부분 구조 검색유사 구조 찾기

기본 정보

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 211-882-3AI3-26008DTXSID40220765NSC 338218RefChem:4222072'Hydroxy5'methoxyacetophenoneDTXCID701432561(2Hydroxy5methoxyphenyl)ethan1one
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

실험 및 물리화학적 성질

Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]
Kovats Retention Index · 2건

1416

1422.3；1461.3

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

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Acetophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (83.3%)；Eye Irrit. 2 (16.7%)；STOT SE 3 (97.9%)

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

화학 및 산업

응용 분야 · 2건

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

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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