기본 정보
- CAS
27538-10-9- 표준 SMILES
CCC1OC(C)=C(O)C1=O- InChIKey
GWCRPYGYVRXVLI-UHFFFAOYSA-N- 분자식
- C7H10O3
- 평균 분자량
- 142.15 g/mol
- 단동위원소 질량
- 142.06299418
개요
2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone is a member of the class of furans that is furan-3(2H)-one carrying additional ethyl, hydroxy and methyl substituents at positions 2, 4 and 5 respectively. A key aroma compound in soy sauce and fish sauce. It has a role as a Saccharomyces cerevisiae metabolite. It is a member of furans, an enol and a cyclic ketone.
이름 및 식별자
- 우선 이름
- Homofuraneol
- IUPAC
- 2-ethyl-4-hydroxy-5-methylfuran-3-one
- 영어명
- Ethyl furaneol
- 분자식
- C7H10O3
- 분자량
- 142.15
이름 및 동의어
27538-10-92-Ethyl-4-hydroxy-5-methyl-3(2H)-furanonehomofuraneol3(2H)-FURANONE, 2-ETHYL-4-HYDROXY-5-METHYL-2-ethyl-4-hydroxy-5-methylfuran-3-oneFEMA NO. 3623, 2-ETHYL-CHEBI:137995DTXSID40885393RefChem:471818DTXCID2010247762-Ethyl-4-hydroxy-5-methylfuran-3(2H)-oneEthyl furaneol
이름 더 보기
FEMA 36234-Hydroxy-5-methyl-2-propyl-3(2H)-furanone4-HEMFRI-2056SUGAR FURANONE
Homofureanol4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanoneHEMFMFCD00191360VRF4YF0C3X2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone (homofuraneol)CCRIS 6903EINECS 248-514-6
데이터베이스 식별자
- CAS
27538-10-9- PubChem CID
- 33931
- DTXSID
DTXSID40885393- ChEBI
CHEBI:137995- UNII
- VRF4YF0C3X
- EC Number
- 248-514-6
- Nikkaji
- J75.508G
물성
구조 계산 물성
- XLogP
- 1.2
- 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 (2-Ethyl-4-hydroxy-5-methylfuran-3(2H)-one) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Boiling Point103.00 °C. @ 15.00 mm Hg
물리화학적 성질
- 끓는 점
- 248 · 248-249 °C(lit.)
- 밀도
- 1.137 g/mL · 1.137 g/mL at 25 °C(lit.)
- 증기압
- 78 · 78-89hPa at 20-40℃
- 굴절률
- 20 · n20/D 1.512(lit.)
- FEMA
- 3623 · 3623 | 2-ETHYL-4-HYDROXY-5-METHYL-3(2H)-FURANONE
- 인화점
- 184 °F · 184 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 9.62 · 9.62±0.40(Predicted)
- 물리적 상태
- 액체
- 색상
- Light orange to Yellow to Green
- 냄새
- 1 % · 디프로필렌 글리콜 중 1.00%. 달콤한 카라멜 캔디 버터스카치
- 냄새 유형
- 캐러멜 같은
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 14.5% (80 of 550) of reports.
Warning
H302 (85.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 550 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3(2H)-Furanone, 2-ethyl-4-hydroxy-5-methyl-
REACH registered substance: 2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one (EC: 248-514-6)
Other Safety InformationIMAP assessments - 3(2H)-Furanone, 2-ethyl-4-hydroxy-5-methyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (85.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LU4250000
- HS 번호
- 2932190090
- risk_code
- 22
- safety_code
- 23-36
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Household ProductsInformation on 5 consumer products that contain 2-Ethyl-4-Hydroxy-5-Methylfuran-3(2h)-One in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3(2H)-Furanone, 2-ethyl-4-hydroxy-5-methyl-: ACTIVE
응용 분야
출처Reported found in soy sauce, Swiss cheese and melon, coffee, shoyu, strawberry and pineapple.
제조 방법
One commercially applied synthesis is the condensation of 2-pentene nitrile with ethyl lactate followed by oxidation of the intermediate 4-cyano-5-ethyl-2-methyldihydro-3(2H)-furanone with monoperoxysulfate.
공급사80 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]
Hebei Zhuanglai Chemical Trading Co Ltd
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