ステアリン酸エチル

Ethyl stearate

HCID 8122CAS 111-61-5
部分構造検索類似構造を探す

基本情報

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
312.30283052

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

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

物理化学的性質

融点
34 · 34-38 °C(lit.)
沸点
213 · 213-215 °C15 mm Hg(lit.)
比重(密度)
1.057 · 1.057
屈折率
1.4349 · 1.4349
FEMA
3490 · 3490 | ETHYL OCTADECANOATE
闪点
230 °F · >230 °F

化学的性質

化学的特性white crystalline mass

安全と法規制

GHS分類

GHS Classification · 5 件

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 · 2 件

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

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

Use Classification · 5 件

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 · 4 件

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 · 3 件

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.]

上流・下流製品情報

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]
北京华美互利生物化工010-56205725 · [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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

補足説明

定義本品は、ステアリン酸(*)とエタノール(*)のエステルであり、次の化学式で表される。参照表示名称：エタノール, ステアリン酸

定義ChEBI: A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of stearic acid with the hydroxy group of ethanol.

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