Basic information
- CAS
5454-19-3- Standard SMILES
CCCCCCCCCCOC(=O)CC- InChIKey
HUOYUOXEIKDMFT-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Overview
Decyl propionate is a carboxylic ester.
Names & identifiers
- Preferred name
- Decyl propionate
- IUPAC
- decyl propanoate
- English name
- DECYL PROPIONATE
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34
Names & synonyms
Decyl propionaten-Decyl propanoatePropanoic acid, decyl esterPropionic acid, decyl estern-Decyl n-propionateUNII-MM6960IBE0MM6960IBE0EINECS 226-703-4NSC 23057NSC-23057AI3-30733DECYL PROPIONATE [FHFI]
Show more names
NISTC5454193ecylpropanoateDecylpropanoateAcid decyl esterDECYL PROPIONATE 96+%
DTXSID4063905FEMA NO. 2369FEMA 2369WE(10:0/3:0)Propionic acid, decyl ester (8CI)Decyl propionic acidRefChem:131379DTXCID3041742
Database identifiers
- CAS
5454-19-3- PubChem CID
- 229385
- DTXSID
DTXSID4063905- ChEBI
CHEBI:180104- UNII
- MM6960IBE0
- EC Number
- 226-703-4
- Nikkaji
- J115.071E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.857-0.867
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
123.00 to 124.00 °C. @ 8.00 mm Hg
138-139 °C (15 mmHg)
Refractive Index1.426-1.432
Physical Descriptioncolourless to pale yellow liquid with a slightly fatty, aldehyde odour
Physicochemical properties
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Propanoic acid, decyl ester
Propanoic acid, decyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Propanoic acid, decyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPropanoic acid, decyl ester: ACTIVE
Applications
UsesFinds some use in perfume compositions, partly as a topnote ingredient to support fresh-citrusy or Ambrette-seed-like notes, partly as a modifier in Citrus fragrance and fruity notes. Used in flavor compositions for imitation Citrus fruit, other fruit and Brandy flavors. Concentration in the finished product is normally mere traces.
Preparation methods
PreparationBy direct esterification in the presence of benzene.
Upstream & downstream products
Upstream raw materials
Suppliers10 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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