라우릴산에틸에스테르

Ethyl Dodecanoate

HCID 7800CAS 106-33-2

기본 정보

표준 SMILES
CCCCCCCCCCCC(=O)OCC
InChIKey
MMXKVMNBHPAILY-UHFFFAOYSA-N
분자식
C14H28O2
평균 분자량
228.37 g/mol
단동위원소 질량
228.20893014

개요

Ethyl laurate is a fatty acid ethyl ester of lauric acid. It has a role as a metabolite.

이름 및 식별자

우선 이름
Ethyl Dodecanoate
IUPAC
ethyl dodecanoate
현지명
라우릴산에틸에스테르
영어명
Ethyl laurate
분자식
C14H28O2
분자량
228.37

이름 및 동의어

ETHYL LAURATEEthyl dodecanoate106-33-2Dodecanoic acid, ethyl esterEthyl laurinateLauric acid, ethyl esterdodecanoic acid ethyl esterFEMA No. 2441DTXSID4047044F389D4MD5KNSC-8912NSC-83467
이름 더 보기
라우릴산에틸에스테르로르산에틸에틸라우레이트로르산 에틸FEMA 2441Dodecanoic acid ethylEthyllaurathyl laurateTwelve ethyl
DTXCID2027044CHEBI:87427RefChem:138924203-386-0Lauric acid ethyl esterEthyl dodecylateEthyl n-dodecanoateEthyllaurate

데이터베이스 식별자

CAS
106-33-2
PubChem CID
7800
DTXSID
DTXSID4047044
ChEMBL
CHEMBL3187842
ChEBI
CHEBI:87427
UNII
F389D4MD5K
EC Number
203-386-0
Nikkaji
J10.113C

물성

구조 계산 물성

XLogP
5.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
12
무거운 원자 수
16

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
CosmeticsEmollient
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl laurate) -> IFRA transparency List
LogP5.71
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

물리화학적 성질

녹는점
-10 °C · -10 °C
끓는 점
269 °C · 269 °C(lit.)
밀도
0.863 · 0.863
증기압
0.1 hPa · 0.1 hPa (60 °C)
FEMA
2441 · 2441 | ETHYL LAURATE
굴절률
20 · n20/D 1.432

화학적 성질

Ethyl laurate has a floral, fruity odor.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 97.6% (1620 of 1659) of all reports.

Not Classified

Aggregated GHS information provided per 1659 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Dodecanoic acid, ethyl ester

Status: Active Update: 22-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26612

Dodecanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Dodecanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
2
tsca
TSCA listed
독성
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
HS 번호
29341000
safety_code
23-24/25
기존화학 물질
KE-12868

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Household ProductsInformation on 3 consumer products that contain Ethyl Laurate in the following categories is provided:
Use Classification · 6건

Fragrance Ingredients

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

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationDodecanoic acid, ethyl ester: ACTIVE
응용 분야 · 4건

개요Lauric acid is a common 12-carbon saturated fatty acid plentiful in coconut and other nut oils. Saturated fatty acids induce the expression of cyclooxygenase-2, an effect that is significant at 25 μM in RAW 264.7 cells, with lauric acid being the most potent of the C:8-18 fatty acids. Ethyl laurate is a more lipophilic and less toxic form of the free acid. It is one of the medium-chain fatty acid ethyl esters that is released during the anaerobic fermentation of Saccharomyces cerevisiae along with the free acid.

출처Reported found in bourbon, Irish whiskey, white wine, apple, apple juice, melon, pineapple, crispbread, blue cheese, cheddar cheese, Swiss and other cheeses, butter, milk, pork liver, beer, cognac, rum, whiskey, cider, sherry, grape wines, cocoa, coconut meat, passion fruit juice, mango, fruit brandies, loquat and pawpaw.

용도Ethyl Dodecanoate is a natural food flavor ingredient, and a component of essential fatty acids.

일반 설명Ethyl laurate can be used as a flavoring and fragrance ingredient It has been identified as one of the main volatile compounds in Chinese liquors.

제조 방법

Ethyl laurate is prepared from lauroyl chloride and ethyl alcohol in the presence of Mg in ether solution, or by transesterification of coconut oil with ethyl alcohol in the presence of HCl.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

추가 설명

정의ChEBI: Ethyl laurate is a fatty acid ethyl ester of lauric acid. It has a role as a metabolite.

관련 반응

14건

연결된 노트

불러오는 중…