Ethyl valerate
기본 정보
- CAS
539-82-2- 표준 SMILES
CCCCC(=O)OCC- InChIKey
ICMAFTSLXCXHRK-UHFFFAOYSA-N- 분자식
- C7H14O2
- 평균 분자량
- 130.18 g/mol
- 단동위원소 질량
- 130.09937969
개요
Ethyl pentanoate is a fatty acid ester.
이름 및 식별자
- 우선 이름
- Ethyl valerate
- IUPAC
- ethyl pentanoate
- 영어명
- Ethyl valerate
- 분자식
- C7H14O2
- 분자량
- 130.18
이름 및 동의어
Ethyl pentanoateETHYL VALERATE539-82-2Pentanoic acid, ethyl esterValeric acid, ethyl esterFEMA No. 2462NSC-886895R258T4P6DTXSID6040161RefChem:139071DTXCID4020161208-726-1
이름 더 보기
FEMA 2462AthylvalerianatEthyl valeratValeric acid ePENTANOIC ETHYL
Ethyl n-valerateEthylvaleratePentanoic acid ethyl esterEthyl valerianateValeric Acid Ethyl Estern-Valeric acid ethyl esterMFCD00009479Amylmetacresol EP Impurity H
데이터베이스 식별자
- CAS
539-82-2- PubChem CID
- 10882
- DTXSID
DTXSID6040161- ChEMBL
CHEMBL47483- ChEBI
CHEBI:89771- UNII
- 95R258T4P6
- EC Number
- 208-726-1
- Nikkaji
- J43.250D
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 79
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesChemical diffusion
FragrancesFragrance Ingredient (Ethyl valerate) -> IFRA transparency List
LogP2.3
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.870-0.875
Flavoring AgentsEU Flavoring substances
Solubility
2.21 mg/mL at 25 °C
Slightly soluble in ethanol, insoluble in water
(in ethanol)
Boiling Point
144.00 to 145.00 °C. @ 760.00 mm Hg
145 °C
Melting Point-91.2 °C
Refractive Index1.399-1.404
Physical Description
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): 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 1662 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Pentanoic acid, ethyl ester
Status: Active Update: 12-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26506
Pentanoic acid ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pentanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- HS 번호
- 29156090
- risk_code
- 10
- safety_code
- 16
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-14014
- 자연 발화 온도
- 400°C
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable 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 InformationPentanoic acid, ethyl ester: ACTIVE
응용 분야
출처Reported found in apples, bananas, guava, strawberry, cheeses, rum, whiskey, cider, sherry, grape wines, cocoa, coffee, honey and passion fruit, apricot, guava fruit and pineapple.
용도Ethyl valerate has wide applications in the areas of food, pharmaceuticals and cosmetics industries.
일반 설명Ethyl valerate is also known as the green apple flavor. Microwave spectrum of ethyl valerate, observed by molecular beam Fourier transform microwave spectroscopy, has been reported.
제조 방법
By refluxing valeric acid and ethyl alcohol in the presence of concentrated H2SO4.
상·하류 제품 정보
상류 원료
관련 반응
22건
화합물 노트
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