기본 정보
- CAS
19322-27-1- 표준 SMILES
CC1=C(O)C(=O)CO1- InChIKey
DLVYTANECMRFGX-UHFFFAOYSA-N- 분자식
- C5H6O3
- 평균 분자량
- 114.1 g/mol
- 단동위원소 질량
- 114.03169405
개요
4-hydroxy-5-methyl-3-furanone is a member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3. It has a role as a metabolite. It is a member of furans, an enol and a cyclic ketone. It is functionally related to a 5-methyl-2,3-dihydrofuran.
이름 및 식별자
- 우선 이름
- 4-Hydroxy-5-methyl-3(2H)-furanone
- IUPAC
- 4-hydroxy-5-methylfuran-3-one
- 현지명
- 4-히드록시-5-메틸-3-푸란온
- 영어명
- 4-Hydroxy-5-methyl-3-furanone
- 분자식
- C5H6O3
- 분자량
- 114.1
이름 및 동의어
19322-27-14-Hydroxy-5-methylfuran-3(2H)-one4-Hydroxy-5-methyl-3-furanonenorfuraneol4-Hydroxy-5-methyl-3(2H)-furanone3(2H)-Furanone, 4-hydroxy-5-methyl-5-Methyl-4-hydroxy-3(2H)-furanone4-Hydroxy-5-methyl-2,3-dihydrofuran-3-oneFEMA No. 36354-hydroxy-5-methylfuran-3-oneDTXSID9047417CHEBI:74456
이름 더 보기
4-히드록시-5-메틸-3-푸란온5-메틸-4-하이드록시-3(2H)-퓨란온4-하이드록시-5-메틸-3-푸라논FEMA 3635CHICORY FURANEOLNorfuronolChicory ketonetoffee furanone4-HYROXY-5-METHYL-3-FURANONE
MTB57102LQDTXCID70274175-METHYL-4-HYDROXY-2,3-DIHYDROFURAN-3-ONE4HM-furanoneRefChem:99224242-961-0MFCD02752619EINECS 242-961-0
데이터베이스 식별자
- CAS
19322-27-1- PubChem CID
- 4564493
- DTXSID
DTXSID9047417- ChEMBL
CHEMBL3182150- ChEBI
CHEBI:74456- UNII
- MTB57102LQ
- EC Number
- 242-961-0
- Nikkaji
- J242.769I
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 157
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in water; Slightly soluble in fats
Soluble (in ethanol)
Melting Point126.6 - 127.5 °C
Physical Description
Solid
Colourless to white solid; Fruity caramel or burnt pineapple aroma
물리화학적 성질
- 녹는점
- 129 · 129-133 °C(lit.)
- 끓는 점
- 218.3 · 218.3±40.0 °C(Predicted)
- 밀도
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- FEMA
- 3635 · 3635 | 4-HYDROXY-5-METHYL-3(2H)-FURANONE
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 클로로포름(난용성), DMSO (약간 용해됨), 메탄올 (약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.61 · 9.61±0.20(Predicted)
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 0.9% (12 of 1378) of reports.
Warning
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1378 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3(2H)-Furanone, 4-hydroxy-5-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3(2H)-Furanone, 4-hydroxy-5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (99.1%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information3(2H)-Furanone, 4-hydroxy-5-methyl-: ACTIVE
응용 분야
출처Reported found in beef broth, guava, raspberry and shoyu (fermented soya hydrolysate)
용도4-Hydroxy-5-methyl-3-furanone may be used in oxidoreductase assay for the evaluation of oxidoreductase activity.
일반 설명4-Hydroxy-5-methyl-3-furanone is the key flavor component of beef broth and shoyu (soy sauce).
상·하류 제품 정보
하류 제품
추가 설명
정의ChEBI: A member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3.
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