기본 정보
- CAS
4077-47-8- 표준 SMILES
COC1=C(C)OC(C)C1=O- InChIKey
SIMKGHMLPVDSJE-UHFFFAOYSA-N- 분자식
- C7H10O3
- 평균 분자량
- 142.15 g/mol
- 단동위원소 질량
- 142.06299418
개요
Mesifurane is a member of oxolanes.
이름 및 식별자
- 우선 이름
- 2,5-dimethyl-4-methoxy-3(2H)-furanone
- IUPAC
- 4-methoxy-2,5-dimethylfuran-3-one
- 영어명
- 4-Methoxy-2,5-dimethyl-3(2H)-furanone
- 분자식
- C7H10O3
- 분자량
- 142.15
이름 및 동의어
4077-47-82,5-DIMETHYL-4-METHOXY-3(2H)-FURANONE4-Methoxy-2,5-dimethylfuran-3(2H)-oneMesifurane4-Methoxy-2,5-dimethyl-3(2H)-furanoneMesifuran4-methoxy-2,5-dimethylfuran-3-one3(2H)-Furanone, 4-methoxy-2,5-dimethyl-2,5-Dimethyl-4-methoxy-2,3-dihydro-3-furanone4-Methoxy-2,5-dimethyl-2,3-dihydrofuran-3-oneFEMA No. 36643241BIM975
이름 더 보기
FEMA 3664FURANEOL METHYL ETHERMethoxyfuraneolUNII:3241BIM975FRAISION METHYL ETHERFurfuran ketone methyl ether2,5-Dimethyl-4-Methoxy-2,3-Dih
DTXSID20863316DMMF cpdRefChem:444549DTXCID60811952223-797-9MFCD002095042,5-Dimethyl 4-methoxy furan-3-one3(2H)-Furanone, 2,5-dimethyl-4-methoxy
데이터베이스 식별자
- CAS
4077-47-8- PubChem CID
- 61325
- DTXSID
DTXSID20863316- ChEBI
CHEBI:169411
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 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 (2,5-Dimethyl-4-methoxy-3(2H)-furanone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.091-1.097
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; Insoluble in water
Soluble (in ethanol)
Boiling Point
221.00 to 222.00 °C. @ 760.00 mm Hg
61-63 °C (0.3 mm Hg)
Refractive Index1.475-1.481
Physical DescriptionColourless liquid; Sweet, carmellic, burnt sugar, aroma
물리화학적 성질
- 끓는 점
- 63 °C/0.3mmHg · 63°C/0.3mmHg(lit.)
- 밀도
- 1.097 g/mL · 1.097 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.478(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 6.1% (90 of 1469) of reports.
Warning
H302 (93.9%): 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 1469 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3(2H)-Furanone, 4-methoxy-2,5-dimethyl-: 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.
Other Safety InformationIMAP assessments - 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (93.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29329990
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 24/25
- 기존화학 물질
- KE-23259
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3(2H)-Furanone, 4-methoxy-2,5-dimethyl-: ACTIVE
응용 분야
출처Taste characteristics at 1.0–5.0 ppm:musty, vegetative,savorymeaty with a brown jamy fullnessin the aftertaste. Natural occurrence: Reported found in grape, mango, pineapple, wild raspberry, wild strawberry, (Fragaria vesca), cultivated strawberry, strawberry wine, strawberry jam, blackberries, kiwifruit and Cape gooseberry.
일반 설명2,5-Dimethyl-4-methoxy-3(2H)-furanone is one of the key volatile aroma compounds that contribute to the characteristic aroma of strawberries.
상·하류 제품 정보
상류 원료
공급사100 곳
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