기본 정보
- CAS
10094-36-7- 표준 SMILES
CCOC(=O)CCC1CCCCC1- InChIKey
NRVPMFHPHGBQLP-UHFFFAOYSA-N- 분자식
- C11H20O2
- 평균 분자량
- 184.27 g/mol
- 단동위원소 질량
- 184.14632988
개요
Ethyl 3-cyclohexylpropionate is a fatty acid ester.
이름 및 식별자
- 우선 이름
- Ethyl cyclohexane propionate
- IUPAC
- ethyl 3-cyclohexylpropanoate
- 영어명
- Ethyl cyclohexanepropionate
- 분자식
- C11H20O2
- 분자량
- 184.28
이름 및 동의어
Ethyl 3-cyclohexylpropanoate10094-36-7Ethyl cyclohexanepropionateCyclohexanepropanoic acid, ethyl esterEthyl 3-cyclohexylpropionateETHYL CYCLOHEXANE PROPIONATEEthyl cyclohexanepropanoateCyclohexanepropionic acid, ethyl esterEthyl hexahydrophenylpropionateEthyl cyclohexylpropionateFEMA No. 2431NSC-71463
이름 더 보기
FEMA 2431ethyl3-cyclohexylpropionateEthyl3-cyclohexylpropanoateETHYL CYCLOHEXANEPROPIONATE 99+%cyclohexanepropanoicacid,ethylester3-Cyclohexyl-propionicacidethylesterETHYL CYCLOHEXANEPROPIONATE USP/EP/BP3-Cyclohexylpropanoic acid ethyl ester
TP836Y7R61EINECS 233-222-3NSC 71463AI3-13192DTXSID00143587ETHYL CYCLOHEXANE PROPIONATE [FHFI]Cyclohexanepropanoic acid, ethyl ester (9CI)Cyclohexanepropionic acid, ethyl ester (8CI)
데이터베이스 식별자
- CAS
10094-36-7- PubChem CID
- 61466
- DTXSID
DTXSID00143587- ChEBI
CHEBI:171838- UNII
- TP836Y7R61
- EC Number
- 233-222-3
- Nikkaji
- J160.454F
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 148
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.926-0.932
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
91.00 to 94.00 °C. @ 8.00 mm Hg
91 °C (8 mm Hg)
Refractive Index1.444-1.452
Physical DescriptionColourless, oily liquid; fruity odour of pear-peach-banana type
물리화학적 성질
- 끓는 점
- 91 · 91-94 °C8 mm Hg(lit.)
- 밀도
- 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.448(lit.)
- FEMA
- 2431 · 2431 | ETHYL CYCLOHEXANEPROPIONATE
- 인화점
- 122 °F · 122 °F
- 저장 조건
- 0 · Store at 0-8 °C
- 용해도
- Almost insoluble in water, soluble in alcohol and oils.
- 색상
- Colorless liquid
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 강력한 과일 향의 달콤한 파인애플 복숭아 배
- 냄새 유형
- 과일 같은
- JECFA Number
- 966 · 966
- InChI
- InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
- InChIKey
- NRVPMFHPHGBQLP-UHFFFAOYSA-N
- SMILES
- C1(CCC(OCC)=O)CCCCC1
- LogP
- 3.83 · 3.83
화학적 성질
Ethyl cyclohexanepropionate has a powerful, fruity odor of pear–peach–banana type.
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (97.6%): 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclohexanepropanoic acid, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclohexanepropanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- risk_code
- 10
- safety_code
- 16
- 포장분류
- III
- 위험 등급
- 3.2
- 기존화학 물질
- KE-13584
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
용도Sweet and fruity taste in dilutions of about 10 ppm. The power is considerably greater than that of the conventional alifatic esters. This ester is used in Europe and other countries in flavor compositions for candy, etc. In fact, the esters of Cyclohexane acetic acid, Cyclohexane propionic acid and a few homologucs, are quite popular outside of the United States of America. They are usually applied in conjunction with the lower alifatic esters to increase the overall power of the flavor.
제조 방법
By esterification of ethyl cyclohexanol with propionic acid or anhydride.
상·하류 제품 정보
상류 원료
공급사27 곳
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