Basic information
- CAS
110-40-7- Standard SMILES
CCOC(=O)CCCCCCCCC(=O)OCC- InChIKey
ONKUXPIBXRRIDU-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Overview
Diethyl decanedioate is a fatty acid ester.
Names & identifiers
- Preferred name
- Diethyl Sebacate
- IUPAC
- diethyl decanedioate
- English name
- Diethyl sebacate
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35
Names & synonyms
Diethyl decanedioateDIETHYL SEBACATE110-40-7Ethyl sebacateDecanedioic acid, diethyl esterBisoflex DESSebacic acid, diethyl esterSebacic acid diethyl ester1,10-diethyl decanedioateFEMA No. 2376DTXSID0021915I41B9FJK6V
Show more names
FEMA 2376bisoflexdesdiethylsebateDiethylsebacatDiethyl sebecateDIETHYLSEBACATE/DES
NSC-8911DTXCID201915RefChem:133443203-764-5Diethyl 1,10-decanedioateEthyl sebacate (VAN)Diethyl 1,8-octanedicarboxylateNSC 8911
Database identifiers
- CAS
110-40-7- PubChem CID
- 8049
- DTXSID
DTXSID0021915- ChEMBL
CHEMBL1884461- ChEBI
CHEBI:172099- UNII
- I41B9FJK6V
- EC Number
- 203-764-5
- Nikkaji
- J5.519K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Toxicology
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
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
Applications
DescriptionDibutyl sebacate (DBS) is an organic colorless liquid chemical, a dibutyl ester of sebacic acid.Its main use is as a plasticizer in production of plastics, namely cellulose acetate butyrate, cellulose acetate propionate, ethyl cellulose, polyvinyl butyral, polyvinyl chloride, polystyrene, and many synthetic rubbers (especially nitrile rubber and neoprene) and other plastics. It can be used for plastics in use in the food packaging industry, in plastics used for medical devices, and for pharmaceutical applications, e.g. as a plasticizer for film coating of tablets, beads, and granules.[2] It is also used as a lubricant in shaving lotions, and a flavoring additive in non-alcoholic beverages, ice cream, ices, candy, and baked goods. It provides excellent compatibility with a range of plastic materials, superior properties at low temperatures, and good oil resistivity. Its other names include Morflex, Kodaflex, polycizer, Proviplast 1944 and PX 404. Dibutyl sebacate is also used as a desensitizer in Otto fuel II, a torpedo monopropellant.
Related reactions
1 records
Compound notes
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