기본 정보
- CAS
698-10-2- 표준 SMILES
CCC1OC(=O)C(O)=C1C- InChIKey
IUFQZPBIRYFPFD-UHFFFAOYSA-N- 분자식
- C7H10O3
- 평균 분자량
- 142.15 g/mol
- 단동위원소 질량
- 142.06299418
개요
5-ethyl-3-hydroxy-4-methyl-2(5H)-furanone is a butenolide. It has a role as a metabolite.
이름 및 식별자
- 우선 이름
- 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
- IUPAC
- 2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one
- 영어명
- 3-Hydroxy-4-methyl-5-ethyl-2(5H)furanone
- 분자식
- C7H10O3
- 분자량
- 142.15
이름 및 동의어
698-10-25-Ethyl-3-hydroxy-4-methylfuran-2(5H)-one5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanonemaple furanone2(5H)-FURANONE, 5-ETHYL-3-HYDROXY-4-METHYL-2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one3-hydroxy-4-methyl-5-ethyl-2-furanoneFEMA No. 3153Abhexone3-Hydroxy-4-methyl-5-ethyl-2(5H)furanoneEthyl Fenugreek Lactone4-Methyl-5-ethyl-3-hydroxyfuranone
이름 더 보기
FEMA 3153Emoxyfurone5-ETHYL-3-HYDROXY-4-METHYL-5H-FURAN-2-ONEEthyl gourd
MFCD000366735-ethyl-3-hydroxy-4-methyl-2,5-dihydrofuran-2-oneSCHEMBL1209202(5H)-Furanone, 5-ethyl-3-hyroxy-4-methyl-AKOS015906625CS-W011021J007136N0NSB60971
데이터베이스 식별자
- CAS
698-10-2- PubChem CID
- 61199
- DTXSID
DTXSID2052441- ChEBI
CHEBI:67940- UNII
- J007136N0N
- EC Number
- 211-811-6
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 193
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.134-1.144
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water
(in ethanol)
Boiling Point83-86 °C (0.5 mmHg)
Melting Point21 °C
Refractive Index1.486-1.493
Physical Description
Solid
yellow liquid with a maple, butterscotch odour
물리화학적 성질
- 녹는점
- 31 · 31-35 °C(lit.)
- 끓는 점
- 83 · 83-86 °C0.5 mm Hg(lit.)
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 0.1% (2 of 1608) of reports.
Warning
H302 (99.9%): 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 1608 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (99.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3335
- HS 번호
- 29322090
- safety_code
- 24/25
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Household ProductsInformation on 2 consumer products that contain 5-Ethyl-3-Hydroxy-4-Methylfuran-2-One in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-: ACTIVE
응용 분야
출처Reported found in coffee.
공급사100 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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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