基本情報
- CAS
1216808-22-8- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC- InChIKey
MVLVMROFTAUDAG-UHFFFAOYSA-N- 分子式
- C20H40O2
- 平均分子量
- 312.5 g/mol
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
- 英語名
- Ethyl Stearate-d5
- 分子式
- C20H40O2
- 分子量
- 312.5304
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
KAK-ES-d5NSC 8919-d5Ethyl Stearate-d5[2H5]-Ethyl StearateEthyl Octadecanoate-d5Ethyl n-Octadecanoate-d5MVLVMROFTAUDAG-PVGOWFQYSA-NStearic Acid Ethyl Ester-d5Octadecanoic Acid Ethyl Ester-d5Ethyl stearate-d5 in acetonitrile
CHEBI:84936RefChem:139058DTXCID5033202203-887-4Dicyclohexylammonium sulfateMFCD00009006Dicyclohexylammonium sulphateOctadecanoic acid-ethyl ester
データベース識別子
- CAS
1216808-22-8- 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%)
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
使用A labelled fatty acid ester component of volatile oil from Rhododendron anthopogonoides; shows antimicrobial activity.
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