기본 정보
- 표준 SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC- InChIKey
LVGKNOAMLMIIKO-QXMHVHEDSA-N- 분자식
- C20H38O2
- 평균 분자량
- 310.5 g/mol
- 단동위원소 질량
- 310.28718046
개요
Ethyl oleate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. It has a role as an acaricide and a plant metabolite. It is functionally related to an oleic acid.
이름 및 식별자
- 우선 이름
- Ethyl Oleate
- IUPAC
- ethyl (Z)-octadec-9-enoate
- 현지명
- 에틸올리에이트
- 영어명
- Ethyl oleate
- 분자식
- C20H38O2
- 분자량
- 310.51
이름 및 동의어
Ethyl oleate111-62-6ethyl (Z)-octadec-9-enoateOleic acid, ethyl esterEthyl cis-9-octadecenoateFEMA No. 2450DTXSID3047633NSC-229428Z2Z439864Y9-Octadecenoic acid (9Z)-, ethyl ester9-Octadecenoic acid, (Z)-, ethyl esterDTXCID1027633
이름 더 보기
에틸올리에이트oleic(Z)-9-OctadecenoicacidethylesterFEMA 2450Ethyl oleate (OA-EE)(Z)-ethyl oleate(9Z)-Ethyloleat
CHEBI:84940NSC229428RefChem:139027203-889-5Oleic acid ethyl ester9-Octadecenoic acid (Z)-, ethyl esterethyl (9Z)-octadec-9-enoate(Z)-9-Octadecenoic acid ethyl ester
데이터베이스 식별자
- CAS
111-62-6、85049-36-1- PubChem CID
- 5363269
- DTXSID
DTXSID3047633- ChEMBL
CHEMBL2106289- ChEBI
CHEBI:84940- UNII
- Z2Z439864Y
- EC Number
- 203-889-5、285-206-0
- Nikkaji
- J10.107I
물성
구조 계산 물성
- XLogP
- 8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 258
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Esters, Other
CosmeticsEmollient
FragrancesFragrance Ingredient (Ethyl oleate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.868-0.873
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in ether
Soluble (in ethanol)
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Boiling Point205-208 °C
Refractive Index1.448-1.453
Physical Description
Liquid
Clear yellow liquid; [Sigma-Aldrich MSDS]
oily, slightly yellowish liquid with a floral odour
물리화학적 성질
- 녹는점
- 32 °C · −32 °C(lit.)
- 끓는 점
- 216 · 216-218 °C15 mm Hg
- 밀도
- 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.451(lit.)
- FEMA
- 2450 · 2450 | ETHYL OLEATE
- 인화점
- 230 °F · >230 °F
- 저장 조건
- -20 °C · -20°C
- 용해도
- 10 % · 클로로포름: 가용성10%
- 물리적 상태
- 기름진 액체
- 색상
- 투명한
- 냄새
- 100 %에서 · 100.00%에서. 지방성 유제품 밀키 왁스 수지
- 냄새 유형
- 지방이 많은
- 생물학적 소스
- palm oil
- Merck
- 14 · 14,6828
- JECFA Number
- 345 · 345
- BRN
- 1727318 · 1727318
- Dielectric constant
- 3.2 · 3.2(28℃)
- 화장품 원료 기능
- 향수피부 컨디셔닝 - 보습제
- InChI
- 1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
- InChIKey
- LVGKNOAMLMIIKO-VAWYXSNFSA-N
- SMILES
- CCCCCCCC\C=C/CCCCCCCC(=O)OCC
- LogP
- 8.69 · 8.69
- NIST
- 9 · 9-Octadecenoic acid (Z)-, ethyl ester(111-62-6)
- EPA
- Ethyl oleate (111-62-6)
- CAS Number Unlabeled
- 111 · 111-62-6
화학적 성질
Ethyl oleate is a pale yellow to almost colorless, mobile, oily liquid with a taste similar to olive oil and a slight odor that is not rancid. In the USP32-NF27, Ethyl oleate is described as consisting of esters of ethyl alcohol and high molecular weight fatty acids, principally oleic acid. It may contain a suitable antioxidant.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.3% (142 of 143) of all reports.
Not Classified
Aggregated GHS information provided per 143 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (15 of 15) of all reports.
Not Classified
Aggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 9-Octadecenoic acid, ethyl ester, (Z)-
Regulation (EC) No 1831/2003 (amended)
9-Octadecenoic acid (9Z)-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10992
9-Octadecenoic acid (9Z)-, 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 human health
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Not Classified
Not Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RG3715000
- 독성
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 20, Pg. 683, 1982.
- HS 번호
- 29161900
- safety_code
- 23-24/25-22
- 기존화학 물질
- KE-26481
- F 고인화성물질
- 10-23
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Uses
Used as a flavoring agent; [FDA] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP] Used as a solvent/co-solvent in pesticide products; [ExPub: EPA - RDD] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Farming (Pesticides) [Category: Industry]
U.S. Production2023: 38,781 lb
Industry UsesSoil amendments (fertilizers)
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Emollient
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
9-Octadecenoic acid (9Z)-, ethyl ester: ACTIVE
응용 분야
개요Ethyl oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. It is a colorless to light yellow liquid. Ethyl oleate is produced by the body during ethanol intoxication. Ethyl oleate is used as a solvent for pharmaceutical drug preparations involving lipophilic substances such as steroids. It also finds use as a lubricant and a plasticizer. The Food and Drug Administration regulates its use as a food additive under "Food Additives Permitted for Direct Addition to Food for Human Consumption", 21CFR172.515.
출처Reported found in cocoa, buckwheat, elderberry and babaco fruit (Carica pentagona Heilborn).
용도Ethyl oleate is a flavoring and fragrance agent. Usually used to prepare the oily phase of self-microemulsifying drug delivery system (SMEDDS) for tacrolimus (Tac). It was obtained by the hydrolysis of various animal and vegetable fats and oils.
일반 설명Ethyl oleate is a colourless to pale yellow oily liquid that has a faint, floral note. It is neutral and is a more lipid-soluble form of oleic acid. The compound contributed to approximately 17% of the total fatty acids esterified to phosphatidylcholine in porcine platelets. The compound is one of the fatty acid ethyl esters that is generated after the breakdown of ethanol in the body. Moreover, ethyl oleate usually acts as a toxic mediator of ethanol in the heart, liver, pancreas, and brain.
제조 방법
Ethyl oleate is prepared by the reaction of ethanol with oleoyl chloride in the presence of a suitable hydrogen chloride acceptor. Or by direct esterification of oleic acid with ethyl alcohol in the presence of HCl at the boil; in the presence of Twitchell’s reagent or chlorosulfonic acid.
상·하류 제품 정보
상류 원료
하류 제품
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추가 설명
정의ChEBI: Ethyl oleate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. It has a role as a plant metabolite and an acaricide. It is functionally related to an oleic acid.
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