10-ウンデセン酸エチル

Ethyl 10-undecenoate

HCID 12729
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基本情報

CAS
692-86-4
標準SMILES
C=CCCCCCCCCC(=O)OCC
InChIKey
FXNFFCMITPHEIT-UHFFFAOYSA-N
分子式
C13H24O2
平均分子量
212.33 g/mol
単同位体質量
212.17763001

概要

Ethyl 10-undecenoate is a fatty acid ester.

名称と識別子

優先名称
Ethyl 10-undecenoate
IUPAC
ethyl undec-10-enoate
現地名
10-ウンデセン酸エチル
英語名
Ethyl 10-undecenoate
分子式
C13H24O2
分子量
212.33

名称と別名

ETHYL 10-UNDECENOATE692-86-4Ethyl undec-10-enoateEthyl undecylenate10-Undecenoic acid, ethyl esterEthyl undecenoateEthyl 10-hendecenoateEthyl 10-undecylenate10-Undecenoic Acid Ethyl EsterFEMA No. 2461MFCD00009220DTXSID4044828
名称をさらに表示
10-ウンデセン酸エチルエチルウンデセノアートウンデシレン酸エチルエチルウンデセノエ-トエチル＝ウンデカ-10-エノアートFEMA 2461ethylundecenoateETHYL UNDECELENATEEthyl HendecenoateETHYL UNDECYLENOATERARECHEM AL BI 0169Ethylundec-10-enoat
Undecenoic acid, ethyl ester7P1S77T8BFEthyl 10-Undecenoate; Ethyl UndecenoateEINECS 211-734-8BRN 1769949UNII-7P1S77T8BFAI3-00664Undecylenoate Acid

データベース識別子

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

物性

構造計算による物性

XLogP
4.6
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
11
重原子数
15

実験および物理化学的性質

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

物理化学的性質

融点
-38 °C · -38 °C
沸点
258 · 258-259 °C/761 mmHg (lit.)
比重(密度)
0.879 g/mL · 0.879 g/mL at 25 °C (lit.)
蒸気圧
0.73 Pa · 0.73Pa at 20℃
屈折率
20 · n20/D 1.439(lit.)
FEMA
2461 · 2461 | ETHYL 10-UNDECENOATE

化学的性質

化学的特性Ethyl 10-undecenoate has a wine-like odor.

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 3 件

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

安全データ

wgk
2
tsca
TSCA listed
rtecs
YQ2978400
hs_code
29161900
化審法
(2)-798
消防法
危-4-3-III

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

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

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
応用分野 · 3 件

天然物の起源Reported found in cognac

使用10-Undecenoic Acid Ethyl Ester is used to make luminescent silicon quantum dots for imaging of cancer cells.

一般的な説明Ethyl 10-undecenoate is a volatile organic compound that is reported to form during the thermal oxidative decomposition of linolenates.

調製方法

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

上流・下流製品情報

サプライヤー61 社

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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