에틸스테아레이트

Ethyl stearate

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기본 정보

CAS: 111-61-5
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 물성보충 중

XLogP: 8.9
극성 표면적: 26.3 Å²
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

안전 및 규제

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

GHS 분류

GHS Classification · 5건

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 · 2건

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 · 5건

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 · 3건

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

1-octadecanoylselanylselanyloctadecan-1-one

화합물 노트

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기본 정보

CAS: 111-61-5
표준 SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC
InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N
분자식: C20H40O2
평균 분자량: 312.5 g/mol
단동위원소 질량: 312.30283052

개요