Ethyl valerate

HCID 10882CAS 539-82-2
부분 구조 검색유사 구조 찾기

기본 정보

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

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

물리화학적 성질

녹는점
-92 · -92--90°C
끓는 점
144 · 144-145 °C (lit.)
밀도
0.875 g/mL · 0.875 g/mL at 25 °C (lit.)
증기압
3 · 3-27.3hPa at 20-50℃
FEMA
2462 · 2462 | ETHYL VALERATE
굴절률
20 · n20/D 1.401(lit.)

화학적 성질

Ethyl valerate has a fruity odor suggestive of apple

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 3건

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

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

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 · 3건

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

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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