기본 정보
- CAS
10031-90-0- 표준 SMILES
CCOC(=O)CCc1ccco1- InChIKey
OWIWZQQFSTZZIG-UHFFFAOYSA-N- 분자식
- C9H12O3
- 평균 분자량
- 168.19 g/mol
- 단동위원소 질량
- 168.07864424
개요
Ethyl 2-furanpropionate is a fatty acid ester.
이름 및 식별자
- 우선 이름
- Ethyl 2-furanpropionate
- IUPAC
- ethyl 3-(furan-2-yl)propanoate
- 영어명
- Ethyl 3-(2-furyl)propionate
- 분자식
- C9H12O3
- 분자량
- 168.19
이름 및 동의어
10031-90-0Ethyl 3-(2-furyl)propionateethyl 3-(furan-2-yl)propanoateEthyl 2-furanpropionate2-Furanpropanoic acid, ethyl esterEthyl 3-(2-furyl)propanoateEthyl furfhydracrylate2-Furanpropionic acid, ethyl esterEthyl 2-furanpropanoateEthyl furfurylhydracrylateEthyl beta-furylpropionateFEMA No. 2435
이름 더 보기
FEMA 2435ETHYL FURYLHYDRACRYLATEethyl furan-2-propionate3-furyl-propanoicacidethylester2-Furanpropanoicacid,ethylester2-Furanepropanoicacidethylester
Ethyl 3-(alpha-furyl)propionateUNII-2RAP445QD8Ethyl .beta.-furylpropionate2RAP445QD8ethyl 3-(2-furyl) propanoateEthyl 3-(.alpha.-furyl)propionateEINECS 233-097-5NSC 97529
데이터베이스 식별자
- CAS
10031-90-0- PubChem CID
- 61450
- DTXSID
DTXSID0064917- ChEBI
CHEBI:173767- UNII
- 2RAP445QD8
- EC Number
- 233-097-5
- Nikkaji
- J241.236E
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 39.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 145
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Ethyl 3(2-furyl)propanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.051-1.058
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point260.00 °C. @ 760.00 mm Hg
Melting Point24.5 °C
Refractive Index1.455-1.462
Physical Description
Solid
Yellow liquid; Fruity pineapple aroma
물리화학적 성질
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 5.6% (78 of 1400) of reports.
Warning
H226 (91.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1400 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Furanpropanoic acid, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furanpropanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (91.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 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
General Manufacturing Information2-Furanpropanoic acid, ethyl ester: ACTIVE
응용 분야
출처Reported found in rum.
제조 방법
By direct esterification of the acid, which in turn is prepared by condensation of furfural with acetic anhydride and sodium acetate, followed by hydrogenation of the furacrylic acid
상·하류 제품 정보
상류 원료
관련 반응
13건
화합물 노트
불러오는 중…