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라우릴산에틸에스테르

Ethyl Dodecanoate

HCID 7800
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
106-33-2
표준 SMILES
CCCCCCCCCCCC(=O)OCC
InChIKey
MMXKVMNBHPAILY-UHFFFAOYSA-N
분자식
C14H28O2
평균 분자량
228.37 g/mol
단동위원소 질량
228.20893013

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 esterFEMA No. 2441dodecanoic acid ethyl esterDTXSID4047044F389D4MD5KNSC-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
형식 전하
0
복잡도
155

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
LogP · 2건

5.71

5.71

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.858-0.863
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Soluble in ether, insoluble in water

1ml in 9ml 80% ethanol (in ethanol)

Boiling Point · 2건

269.00 to 271.00 °C. @ 760.00 mm Hg

269 °C

Melting Point-10 °C
Refractive Index

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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

REACH registered substance: Ethyl laurate (EC: 203-386-0)

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
자연 발화 온도
>300 °C
스토리지 클래스
10 - Combustible liquids

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.

관련 반응

14건
반응 기록 만들기
HRID 191464 반응식
HRID 191464반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 206004 반응식
HRID 206004반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 302565 반응식
HRID 302565반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 373197 반응식
HRID 373197반응물로uspto-grants-1992_11
HRID 1086434 반응식
HRID 1086434반응물로uspto-grants-1991_07
HRID 1086435 반응식
HRID 1086435반응물로uspto-grants-1991_07
HRID 1086436 반응식
HRID 1086436반응물로uspto-grants-1991_07
HRID 1086442 반응식
HRID 1086442반응물로uspto-grants-1991_07
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
1.430-1.434

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
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.
용해도
클로로포름, 에틸아세테이트에 용해됨
물리적 상태
기름
색상
투명 무색
냄새
100 %에서 · 100.00%에서. 달콤하고 왁스 같은 꽃무늬 비눗물 깨끗함
냄새 유형
밀랍같은
생물학적 소스
synthetic
수용성
불용성
JECFA Number
37 · 37
Merck
14 · 14,3818
BRN
1769671 · 1769671
Henry's Law Constant
7.7 · 7.7×10-3 mol/(m3Pa) at 25℃, Krop and Velzen (1997)
Dielectric constant
2.7 · 2.7(142℃)
주요 응용
향료 및 향
화장품 원료 기능
향수피부 컨디셔닝 - 보습제
InChI
1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
InChIKey
MMXKVMNBHPAILY-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCC(=O)OCC
LogP
6.02 · 6.02
NIST
Dodecanoic acid, ethyl ester(106-33-2)
EPA
Dodecanoic acid, ethyl ester (106-33-2)

화학적 성질

Ethyl laurate has a floral, fruity odor.

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.

상·하류 제품 정보

상류 원료

라우르산에틸알코올도데칸오일 클로라이드트리라우린에틸4-요오도부틸레이트라우릴산비닐에스테르

하류 제품

라우릴알코올라우릴산메틸에스테르라우라마이드

추가 설명

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