에틸운데실레네이트

Ethyl 10-undecenoate

HCID 12729
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기본 정보

CAS
692-86-4
표준 SMILES
C=CCCCCCCCCC(=O)OCC
InChIKey
FXNFFCMITPHEIT-UHFFFAOYSA-N
분자식
C13H24O2
평균 분자량
212.33 g/mol
단동위원소 질량
212.17763001

개요

Ethyl 10-undecenoate is a fatty acid ester.

이름 및 식별자

우선 이름
Ethyl 10-undecenoate
IUPAC
ethyl undec-10-enoate
현지명
에틸운데실레네이트
영어명
Ethyl 10-undecenoate
분자식
C13H24O2
분자량
212.33

이름 및 동의어

ETHYL 10-UNDECENOATE692-86-4Ethyl undec-10-enoateEthyl undecylenate10-Undecenoic acid, ethyl esterEthyl undecenoateEthyl 10-hendecenoateEthyl 10-undecylenate10-Undecenoic Acid Ethyl EsterFEMA No. 2461MFCD00009220DTXSID4044828
이름 더 보기
에틸운데실레네이트FEMA 2461ethylundecenoateETHYL UNDECELENATEEthyl HendecenoateETHYL UNDECYLENOATERARECHEM AL BI 0169Ethylundec-10-enoat
Undecenoic acid, ethyl ester7P1S77T8BFEthyl 10-Undecenoate; Ethyl UndecenoateEINECS 211-734-8BRN 1769949UNII-7P1S77T8BFAI3-00664Undecylenoate Acid

데이터베이스 식별자

CAS
692-86-4
PubChem CID
12729
DTXSID
DTXSID4044828
ChEMBL
CHEMBL3182950
ChEBI
CHEBI:171792
UNII
7P1S77T8BF
EC Number
211-734-8
Nikkaji
J61.754G

물성

구조 계산 물성

XLogP
4.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
11
무거운 원자 수
15

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl 10-undecenoate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.877-0.882

물리화학적 성질

녹는점
-38 °C · -38 °C
끓는 점
258 · 258-259 °C/761 mmHg (lit.)
밀도
0.879 g/mL · 0.879 g/mL at 25 °C (lit.)
증기압
0.73 Pa · 0.73Pa at 20℃
굴절률
20 · n20/D 1.439(lit.)
FEMA
2461 · 2461 | ETHYL 10-UNDECENOATE

화학적 성질

Ethyl 10-undecenoate has a wine-like odor.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (236 of 236) of all reports.

Not Classified

Aggregated GHS information provided per 236 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 10-Undecenoic acid, ethyl ester

Status: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22310

10-Undecenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 10-Undecenoic acid, ethyl ester: Human health tier I assessment
Hazards SummaryA mild skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A mild skin irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
YQ2978400
HS 번호
29161900
기존화학 물질
KE-14084
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

UsesUsed as a flavoring agent; [FDA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information10-Undecenoic acid, ethyl ester: ACTIVE
응용 분야 · 3건

출처Reported found in cognac

용도10-Undecenoic Acid Ethyl Ester is used to make luminescent silicon quantum dots for imaging of cancer cells.

일반 설명Ethyl 10-undecenoate is a volatile organic compound that is reported to form during the thermal oxidative decomposition of linolenates.

제조 방법

By heating the corresponding acid together with HCl in ethyl alcohol solution at 70°C or with H2SO4 in alcoholic solution.

상·하류 제품 정보

공급사61 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

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