4-(4-히드록시페닐)-2-부타논

4-(4'-Hydroxyphenyl)-2-butanone

HCID 21648CAS 5471-51-2

기본 정보

표준 SMILES
CC(=O)CCc1ccc(O)cc1
InChIKey
NJGBTKGETPDVIK-UHFFFAOYSA-N
분자식
C10H12O2
평균 분자량
164.2 g/mol
단동위원소 질량
164.08372962

이름 및 식별자

우선 이름
4-(4'-Hydroxyphenyl)-2-butanone
IUPAC
4-(4-hydroxyphenyl)butan-2-one
현지명
4-(4-히드록시페닐)-2-부타논
영어명
Raspberry Ketone
분자식
C10H12O2
분자량
164.2

이름 및 동의어

5471-51-2Raspberry ketone4-(4-Hydroxyphenyl)butan-2-oneFrambinoneOxyphenalon4-(p-Hydroxyphenyl)-2-butanoneRasketone2-Butanone, 4-(4-hydroxyphenyl)-4-Hydroxybenzylacetonep-Hydroxybenzyl acetone4-(3-Oxobutyl)phenol1-(p-Hydroxyphenyl)-3-butanone
이름 더 보기
4-(4-하이드록시페닐)-2-부탄온4-(4-히드록시페닐)-2-부타논라즈베리케톤4-(4-HYDROXYPHENYL)-2-BUTANONEOXYPHENYLONFEMA 2588Rheosmin4-(4-Hydroxyphenyl)-2-butanone 5471-51-2RASBERRY KETONE
1-(4-Hydroxyphenyl)-3-butanone2-BUTANONE, 4-(p-HYDROXYPHENYL)-FEMA No. 2588p-hydroxyphenylbutan-2-one4-(4'-hydroxyphenyl)-2-butanoneDTXSID50444957QY1MH15BGNSC-26515

데이터베이스 식별자

CAS
5471-51-2
PubChem CID
21648
DTXSID
DTXSID5044495
ChEMBL
CHEMBL105912
ChEBI
CHEBI:68656
UNII
7QY1MH15BG
EC Number
226-806-4
Nikkaji
J31.103K

물성

구조 계산 물성

XLogP
1.5
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
12

물리화학적 성질

녹는점
81 · 81-85 °C (lit.)
끓는 점
200 °C · 200°C
밀도
1.0326 · 1.0326 (rough estimate)
증기압
40 Pa · 40Pa at 25℃
굴절률
1.525 · 1.5250 (estimate)
FEMA
2588 · 2588 | 4-(P-HYDROXYPHENYL)-2-BUTANONE
화학적 성질 · 1건

4-(4-Hydroxyphenyl)-2-butanone is a highly characteristic component of raspberry aroma. It forms colorless crystals (mp 82–83°C) with a sweet, fruity odor strongly reminiscent of raspberries. Raspberry ketone is prepared by alkali-catalyzed condensation of the alkali salt of 4-hydroxybenzaldehyde and acetone, followed by selective hydrogenation of the double bond in the resulting 4-hydroxybenzalacetone. Other syntheses start from phenol, which is converted into 4-(4-hydroxyphenyl)-2-butanone with methyl vinyl ketone or with 4-hydroxy-2-butanone.

안전 및 규제

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
EL8925000
HS 번호
29145011
risk_code
22
hazard_code
Xn,Xi

화학 및 산업

응용 분야 · 3건

개요4-(p-Hydroxyphenyl)-2-butanone has a sweet, fruity, raspberry preserves odor. May be prepared by catalytic hydrogenation of phydroxy-benzylidene acetone in the presence of platinum black in ether or methanol or in the presence of palladium absorbed on charcoal.

출처Reported found European cranberry, raspberry, blackberry, loganberry and sea buckthorn (Hippophae rhamnoides L.).

용도Intermediates of Liquid Crystals

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
추가 설명 · 1건

정의ChEBI: A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics.

관련 반응

25건

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