카프릴산에틸에스테르
Ethyl caprate
기본 정보
- CAS
110-38-3- 표준 SMILES
CCCCCCCCCC(=O)OCC- InChIKey
RGXWDWUGBIJHDO-UHFFFAOYSA-N- 분자식
- C12H24O2
- 평균 분자량
- 200.32 g/mol
- 단동위원소 질량
- 200.17763
개요
Ethyl decanoate is a fatty acid ethyl ester of decanoic acid. It has a role as a metabolite. It is a fatty acid ethyl ester and a decanoate ester.
이름 및 식별자
- 우선 이름
- Ethyl caprate
- IUPAC
- ethyl decanoate
- 현지명
- 카프릴산에틸에스테르
- 영어명
- Ethyl caprate
- 분자식
- C12H24O2
- 분자량
- 200.32
이름 및 동의어
ETHYL DECANOATEEthyl caprate110-38-3Ethyl decylateDecanoic acid, ethyl esterCapric acid ethyl esterFEMA No. 2432DTXSID0044363GY39FB86UONSC-8909DTXCID8024363CHEBI:87430
이름 더 보기
에틸카프레이트카프릴산에틸에스테르에틸카프레이트에틸 카프레이트Ethyl DecenoateFEMA 2432Decanoic acid ethylZolpidemumETHYLCAPRINAT
RefChem:138908203-761-9Decanoic Acid Ethyl EsterEthyl caprinateEthyl n-decanoateCapric acid, ethyl esterNSC 8909Decanoic acid-ethyl ester
데이터베이스 식별자
- CAS
110-38-3- PubChem CID
- 8048
- DTXSID
DTXSID0044363- ChEMBL
CHEMBL3184829- ChEBI
CHEBI:87430- UNII
- GY39FB86UO
- EC Number
- 203-761-9
- Nikkaji
- J1.974G
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 132
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl decanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.863-0.868
Flavoring AgentsEU Flavoring substances
Solubility
0.0159 mg/mL at 25 °C
Soluble in most fixed oils, insoluble in glycerol and propylene glycol
1ml in 4ml 80% ethanol (in ethanol)
Boiling Point
241.00 to 245.00 °C. @ 760.00 mm Hg
243 °C
Melting Point-20 °C
Refractive Index1.424-1.427
Physical Description
Liquid
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 100% (1642 of 1642) of all reports.
Not Classified
Aggregated GHS information provided per 1642 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Decanoic acid, ethyl ester
REACH registered substance: Ethyl decanoate (EC: 203-761-9)
Ethyl decanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- HD9420000
- HS 번호
- 29159080
- safety_code
- 24/25
- 기존화학 물질
- KE-13593
- 자연 발화 온도
- 310°C
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Household ProductsInformation on 1 consumer products that contain Ethyl Caprate in the following categories is provided:
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 InformationDecanoic acid, ethyl ester: ACTIVE
응용 분야
출처Reported found in cognac, apple, banana, cherry, citrus, grape, melon, pear, pinapple, and more.
용도manufacture of wine bouquets, cognac essence.
일반 설명Ethyl decanoate has ethereal, fruity, aromatic note that is considered to be essential for a fine wine flavor.
제조 방법
Ethyl decanoate is prepared by esterification of decanoic acid and ethyl alcohol in the presence of HCl or H2SO4.
상·하류 제품 정보
상류 원료
관련 반응
15건
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