Ethyl pentadecanoate
Basic information
- CAS
41114-00-5- Standard SMILES
CCCCCCCCCCCCCCC(=O)OCC- InChIKey
PTEYJUIKYIKULL-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Overview
Ethyl pentadecanoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Ethyl pentadecanoate
- IUPAC
- ethyl pentadecanoate
- English name
- N-Pentadecanoic acid ethyl ester
- Molecular formula
- C17H34O2
- Molecular weight
- 270.45
Names & synonyms
ETHYL PENTADECANOATE41114-00-5n-Pentadecanoic acid ethyl esterPentadecanoic acid, ethyl esterUNII-HJ2A096Y4TEINECS 255-223-8HJ2A096Y4TNSC 137833NSC-137833DTXSID80194057ethyl pentadecanoic acidRefChem:139034
Show more names
CH3(CH2)13COOC2H5Eethyl pentadecanoateETHYL N-PENTADECANOATEEthylPentadecanoate>ETHYLPENTADECANOATE(RG)Ethyl Acetate Impurity 71Ethyl pentadecanoate >=96.0%
DTXCID90116548255-223-8PTEYJUIKYIKULL-UHFFFAOYSA-NPENTADECANOIC ACID ETHYL ESTERMFCD00042872Pentadecanoic acid-ethyl esterCHEBI:172144Ethyl pentadecanoate, >=96.0%
Database identifiers
- CAS
41114-00-5- PubChem CID
- 38762
- DTXSID
DTXSID80194057- ChEBI
CHEBI:172144- UNII
- HJ2A096Y4T
- EC Number
- 255-223-8
- Nikkaji
- J151.247A
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 12 · 12-14 °C
- Boiling point
- 158 °C · 158 °C / 5mmHg
- Density
- 0.859 g/mL · 0.859 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.439
- FLAVIS Number
- 9.38 · 09.380 | Ethyl pentadecanoate
- Flash point
- 12 °C · 12 °C
- storage temp.
- -20 °C · -20°C
- solubility
- Almost insoluble in water, soluble in alcohol and oils
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. honey sweet
- Odor Type
- sweet
- BRN
- 1780986 · 1780986
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 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
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pentadecanoic acid, ethyl 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.
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29159000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesEthyl Pentadecanoate is a flavor and off-flavor compound that is found in cork stoppers produced by fungi. The ester could find some use in flavor compositions, mainly in wine and fruit flavors, imitation Honey, etc.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Ethyl pentadecanoate is a fatty acid ester.
Suppliers
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Related reactions
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Compound notes
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