ステアリン酸エチル
Ethyl stearate
基本情報
- CAS
111-61-5- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC- InChIKey
MVLVMROFTAUDAG-UHFFFAOYSA-N- 分子式
- C20H40O2
- 平均分子量
- 312.5 g/mol
- 単同位体質量
- 312.30283051
概要
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.
名称と識別子
- 優先名称
- Ethyl stearate
- IUPAC
- ethyl octadecanoate
- 現地名
- ステアリン酸エチル
- 英語名
- Ethyl stearate
- 分子式
- C20H40O2
- 分子量
- 312.53
名称と別名
ETHYL STEARATEEthyl octadecanoate111-61-5Stearic acid ethyl esterOctadecanoic acid, ethyl esterEthyl n-octadecanoateStearic acid, ethyl esterFEMA No. 3490octadecanoic acid ethyl esterC64RTC734WNSC-8919DTXSID5059406
名称をさらに表示
ステアリン酸エチルエチル=ステアラートエチルステアラートオクタデカン酸エチルエチルステアレ-トN-オクタデカン酸エチルステアリン酸エチル標準品ステアリン酸エチル, 99%ｎ-オクタデカン酸エチルエステルｎ-オクタデカン酸エチル標準品Stearic acid ethyl ester standardオクタデカン酸エチルエステル標準品FEMA 3490thyl stearateStearic acid ethylKAK-ESNSC 8919Radia 7185Ethylstearat
CHEBI:84936RefChem:139058DTXCID5033202203-887-4Dicyclohexylammonium sulfateMFCD00009006Dicyclohexylammonium sulphateOctadecanoic acid-ethyl ester
データベース識別子
- CAS
111-61-5- PubChem CID
- 8122
- DTXSID
DTXSID5059406- ChEBI
CHEBI:84936- UNII
- C64RTC734W
- EC Number
- 203-887-4
- Nikkaji
- J10.108G
物性
構造計算による物性
- XLogP
- 8.9
- 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
- 18
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 226
実験および物理化学的性質
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
Solubility
Soluble in ethanol and oils, insoluble in water
(in ethanol)
Boiling Point
213.00 to 215.00 °C. @ 15.00 mm Hg
105 °C at 11mm Hg
Melting Point33.4 °C
Refractive Index1.420-1.440
Physical Description
Solid
Colourless, odourless mass
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 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.
危険有害性情報
Regulatory Information
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%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- WI3600000
- hs_code
- 2915 70 50
- risk_code
- 36/37/38
- 化審法
- (2)-798
- hazard_code
- Xi
- safety_code
- 26-36
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Use Classification
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
応用分野
用途有機合成原料。
天然物の起源Reported found in Jamaican rum, maple syrup, grapefruit juice, guava, grapes, cognac, rum, whiskey, sparkling wine, mustard, beef, cocoa and corn oil.
使用A 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.
一般的な説明Ethyl stearate is a fatty acid ethyl ester (FAEE) is commonly found in vegetable oils.
調製方法
Ethyl 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.
製造方法By esterification of ethanol with stearic acid.
純化方法The solid portion is separated from the partially solid starting material, then crystallised twice from EtOH, dried by azeotropic distillation with *benzene, and fractionally distilled through a spinning-band column at low pressure [Welsh Trans Faraday Soc 55 52 1959]. [Beilstein 2 IV 1218.]
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