ラウリン酸エチル
Ethyl Dodecanoate
基本情報
- CAS
106-33-2- 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
- 228.20893013
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 esterFEMA No. 2441dodecanoic acid ethyl esterDTXSID4047044F389D4MD5KNSC-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
- 形式電荷
- 0
- 複雑度
- 155
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
LogP
5.71
5.71
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.858-0.863
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether, insoluble in water
1ml in 9ml 80% ethanol (in ethanol)
Boiling Point
269.00 to 271.00 °C. @ 760.00 mm Hg
269 °C
Melting Point-10 °C
Refractive Index
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
Chemical: Dodecanoic acid, ethyl ester
REACH registered substance: Ethyl laurate (EC: 203-386-0)
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
- safety_code
- 23-24/25
- 自然発火温度
- >300 °C
- ストレージクラス
- 10 - Combustible liquids
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
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
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.
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.
関連反応
14 件
化合物ノート
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