ラウリン酸エチル

Ethyl Dodecanoate

HCID 7800CAS 106-33-2

基本情報

標準SMILES
CCCCCCCCCCCC(=O)OCC
InChIKey
MMXKVMNBHPAILY-UHFFFAOYSA-N
分子式
C14H28O2
平均分子量
228.37 g/mol
単同位体質量
228.20893014

概要

Ethyl laurate is a fatty acid ethyl ester of lauric acid. It has a role as a metabolite.

名称と識別子

優先名称
Ethyl Dodecanoate
IUPAC
ethyl dodecanoate
現地名
ラウリン酸エチル
英語名
Ethyl laurate
分子式
C14H28O2
分子量
228.37

名称と別名

ETHYL LAURATEEthyl dodecanoate106-33-2Dodecanoic acid, ethyl esterEthyl laurinateLauric acid, ethyl esterdodecanoic acid ethyl esterFEMA No. 2441DTXSID4047044F389D4MD5KNSC-8912NSC-83467
名称をさらに表示
ラウリン酸エチルエチルラウラートエチル=ラウラートドデカン酸エチルエチルラウレ-トエチル=ドデカノアートラウリン酸エチル標準品ドデカン酸エチルエステル標準品FEMA 2441Dodecanoic acid ethylEthyllaurathyl laurateTwelve ethyl
DTXCID2027044CHEBI:87427RefChem:138924203-386-0Lauric acid ethyl esterEthyl dodecylateEthyl n-dodecanoateEthyllaurate

データベース識別子

CAS
106-33-2
PubChem CID
7800
DTXSID
DTXSID4047044
ChEMBL
CHEMBL3187842
ChEBI
CHEBI:87427
UNII
F389D4MD5K
EC Number
203-386-0
Nikkaji
J10.113C

物性

構造計算による物性

XLogP
5.6
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
12
重原子数
16

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
CosmeticsEmollient
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl laurate) -> IFRA transparency List
LogP5.71
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

物理化学的性質

融点
-10 °C · -10 °C
沸点
269 °C · 269 °C(lit.)
比重(密度)
0.863 · 0.863
蒸気圧
0.1 hPa · 0.1 hPa (60 °C)
FEMA
2441 · 2441 | ETHYL LAURATE
屈折率
20 · n20/D 1.432

化学的性質

化学的特性Ethyl laurate has a floral, fruity odor.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 97.6% (1620 of 1659) of all reports.

Not Classified

Aggregated GHS information provided per 1659 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Dodecanoic acid, ethyl ester

Status: Active Update: 22-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26612

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

Other Safety InformationIMAP assessments - Dodecanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified

安全データ

wgk
2
tsca
TSCA listed
毒性
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
hs_code
29341000
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

Household ProductsInformation on 3 consumer products that contain Ethyl Laurate in the following categories is provided:
Use Classification · 6 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationDodecanoic acid, ethyl ester: ACTIVE
応用分野 · 5 件

用途有機合成原料。高沸点溶剤。

説明Lauric acid is a common 12-carbon saturated fatty acid plentiful in coconut and other nut oils. Saturated fatty acids induce the expression of cyclooxygenase-2, an effect that is significant at 25 μM in RAW 264.7 cells, with lauric acid being the most potent of the C:8-18 fatty acids. Ethyl laurate is a more lipophilic and less toxic form of the free acid. It is one of the medium-chain fatty acid ethyl esters that is released during the anaerobic fermentation of Saccharomyces cerevisiae along with the free acid.

天然物の起源Reported found in bourbon, Irish whiskey, white wine, apple, apple juice, melon, pineapple, crispbread, blue cheese, cheddar cheese, Swiss and other cheeses, butter, milk, pork liver, beer, cognac, rum, whiskey, cider, sherry, grape wines, cocoa, coconut meat, passion fruit juice, mango, fruit brandies, loquat and pawpaw.

使用Ethyl Dodecanoate is a natural food flavor ingredient, and a component of essential fatty acids.

一般的な説明Ethyl laurate can be used as a flavoring and fragrance ingredient It has been identified as one of the main volatile compounds in Chinese liquors.

調製方法

製造方法Ethyl laurate is prepared from lauroyl chloride and ethyl alcohol in the presence of Mg in ether solution, or by transesterification of coconut oil with ethyl alcohol in the presence of HCl.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

補足説明

定義ChEBI: Ethyl laurate is a fatty acid ethyl ester of lauric acid. It has a role as a metabolite.

関連反応

14 件

関連ノート

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