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
이름 더 보기
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
Solubility
Soluble in ether, insoluble in water
1ml in 9ml 80% ethanol (in ethanol)
Boiling Point
269.00 to 271.00 °C. @ 760.00 mm Hg
269 °C
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.
안전 및 규제
GHS 분류
GHS Classification
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
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
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
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: Ethyl laurate is a fatty acid ethyl ester of lauric acid. It has a role as a metabolite.
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