基本情報
- CAS
110-40-7- 標準SMILES
CCOC(=O)CCCCCCCCC(=O)OCC- InChIKey
ONKUXPIBXRRIDU-UHFFFAOYSA-N- 分子式
- C14H26O4
- 平均分子量
- 258.35 g/mol
- 単同位体質量
- 258.18310931
概要
Diethyl decanedioate is a fatty acid ester.
名称と識別子
- 優先名称
- Diethyl Sebacate
- IUPAC
- diethyl decanedioate
- 現地名
- セバシン酸 ジエチル
- 英語名
- Diethyl sebacate
- 分子式
- C14H26O4
- 分子量
- 258.35
名称と別名
Diethyl decanedioateDIETHYL SEBACATE110-40-7Ethyl sebacateDecanedioic acid, diethyl esterBisoflex DESSebacic acid, diethyl esterSebacic acid diethyl ester1,10-diethyl decanedioateFEMA No. 2376DTXSID0021915I41B9FJK6V
名称をさらに表示
セバシン酸 ジエチルセバシン酸ジエチルデカン二酸ジエチルジエチル＝デカンジオアートFEMA 2376bisoflexdesdiethylsebateDiethylsebacatDiethyl sebecateDIETHYLSEBACATE/DES
NSC-8911DTXCID201915RefChem:133443203-764-5Diethyl 1,10-decanedioateEthyl sebacate (VAN)Diethyl 1,8-octanedicarboxylateNSC 8911
データベース識別子
- CAS
110-40-7- PubChem CID
- 8049
- DTXSID
DTXSID0021915- ChEMBL
CHEMBL1884461- ChEBI
CHEBI:172099- UNII
- I41B9FJK6V
- EC Number
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 52.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 13
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 202
実験および物理化学的性質
Chemical ClassesOther Classes -> Esters, Other
Cosmetics
Cosmetic ingredients (Diethyl Sebacate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Diethyl sebacate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.960-0.965
Flavoring AgentsEU Flavoring substances
Solubility
0.08 mg/mL at 20 °C
miscible in alcohol, ether, other organic solvents, most fixed oils; insoluble in water
(in ethanol)
Boiling Point
302.00 to 305.00 °C. @ 760.00 mm Hg
302 °C
Melting Point5 °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 2.6% (38 of 1462) of reports.
H411 (94.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1462 reports by companies from 5 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Decanedioic acid, diethyl ester
REACH registered substance: Diethyl sebacate (EC: 203-764-5)
Decanedioic acid, diethyl 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 human health
Hazards SummaryA mild skin irritant; Causes somnolence in oral lethal-dose studies of rats; [RTECS] Causes contact dermatitis. [ChemIDplus] Safe when used as a flavoring agent in food; [JECFA] A skin irritant; [Sigma-Aldrich MSDS]
EPA Safer ChemicalChemical: Diethyl sebacate
Hazard Classes and CategoriesAquatic Chronic 2 (94.8%)
毒性情報
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Uses
CIR ingredient: Diethyl Sebacate
Used to make alkyd and polyester resins, non-migrating plasticizers, polyester rubbers, and polyamide synthetic fibers; [Merck Index] Used as a flavoring agent; [FDA]
Textiles (Fiber & Fabric Manufacturing) [Category: Industry]
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationDecanedioic acid, 1,10-diethyl ester: ACTIVE
応用分野
使用Diethyl Sebacate is a flavoring agent that is a liquid, colorless to pale yellow in appearance with a slight odor. it is insoluble in water and miscible in alcohol, ether, and other organic solvents. it is obtained by chemical synthesis. it is also termed ethyl sebacate.
一般的な説明Diethyl sebacate is a volatile organic compoind used as a flavoring agent. It is reported to be found in longan honey porduced by Apis cerana.
調製方法
製造方法Diethyl sebacate is obtained by heating sebacic acid and ethanol in the presence of concentrated H2SO4 or other acid catalysts.
上流・下流製品情報
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