기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC- InChIKey
MVLVMROFTAUDAG-UHFFFAOYSA-N- 분자식
- C20H40O2
- 평균 분자량
- 312.5 g/mol
- 단동위원소 질량
- 312.30283052
개요
Ethyl octadecanoate is an octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol. It has a role as a plant metabolite. It is a long-chain fatty acid ethyl ester and an octadecanoate ester.
이름 및 식별자
- 우선 이름
- Ethyl stearate
- IUPAC
- ethyl octadecanoate
- 현지명
- 에틸스테아레이트
- 영어명
- Ethyl stearate
- 분자식
- C20H40O2
- 분자량
- 312.53
이름 및 동의어
ETHYL STEARATEEthyl octadecanoate111-61-5Stearic acid ethyl esterOctadecanoic acid, ethyl esterEthyl n-octadecanoateStearic acid, ethyl esterFEMA No. 3490octadecanoic acid ethyl esterC64RTC734WNSC-8919DTXSID5059406
이름 더 보기
에틸스테아레이트FEMA 3490thyl stearateStearic acid ethylKAK-ESNSC 8919Radia 7185Ethylstearat
CHEBI:84936RefChem:139058DTXCID5033202203-887-4Dicyclohexylammonium sulfateMFCD00009006Dicyclohexylammonium sulphateOctadecanoic acid-ethyl ester
데이터베이스 식별자
- CAS
111-61-5- PubChem CID
- 8122
- DTXSID
DTXSID5059406- ChEBI
CHEBI:84936- UNII
- C64RTC734W
- EC Number
- 203-887-4
- Nikkaji
- J10.108G
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 226
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
CosmeticsEmollient
FragrancesFragrance Ingredient (Ethyl octadecanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.880-0.900
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ethanol and oils, insoluble in water
(in ethanol)
Boiling Point
213.00 to 215.00 °C. @ 15.00 mm Hg
105 °C at 11mm Hg
Melting Point33.4 °C
Refractive Index1.420-1.440
Physical Description
Solid
Colourless, odourless mass
물리화학적 성질
- 녹는점
- 34 · 34-38 °C(lit.)
- 끓는 점
- 213 · 213-215 °C15 mm Hg(lit.)
- 밀도
- 1.057 · 1.057
- 굴절률
- 1.4349 · 1.4349
- FEMA
- 3490 · 3490 | ETHYL OCTADECANOATE
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 결정질 덩어리
- 색상
- 하얀색
- 냄새
- 100 %에서 · 100.00%에서. 약한 밀랍 같은
- 냄새 유형
- 밀랍같은
- 생물학적 소스
- synthetic
- JECFA Number
- 40 · 40
- BRN
- 1788183 · 1788183
- Dielectric constant
- 3 · 3.0(40℃)
- 주요 응용
- 향료 및 향
- 화장품 원료 기능
- 피부 컨디셔닝 - 보습제향수
- InChI
- 1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
- InChIKey
- MVLVMROFTAUDAG-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OCC
- LogP
- 9.21 · 9.21
- EPA
- Ethyl stearate (111-61-5)
화학적 성질
white crystalline mass
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 138) of reports.
Warning
H315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 138 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Octadecanoic acid, ethyl ester
Octadecanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (99.3%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- WI3600000
- HS 번호
- 2915 70 50
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-14057
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
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
Cosmetics -> Emollient
General Manufacturing InformationOctadecanoic acid, ethyl ester: ACTIVE
응용 분야
출처Reported found in Jamaican rum, maple syrup, grapefruit juice, guava, grapes, cognac, rum, whiskey, sparkling wine, mustard, beef, cocoa and corn oil.
용도A fatty acid ester component of volatile oil from Rhododendron anthopogonoides; shows antimicrobial activity.Ethyl stearate is occasionally used in flavor compositions where a waxy taste (or mouthfeel) is desirable, e.g. in imitation Honey or in certain types of chocolate flavor.
일반 설명Ethyl stearate is a fatty acid ethyl ester (FAEE) is commonly found in vegetable oils.
제조 방법
By esterification of ethanol with stearic acid.
생산 방법Ethyl stearate can be produced by esterification of Ethanol with Stearic acid. The acid is obtained from Oleic acid by hydrogenation, a method which yields comparatively pure Stearic acid, free from Palmitic acid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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추가 설명
정의ChEBI: A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of stearic acid with the hydroxy group of ethanol.
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