Pentyl decanoate
Basic information
- CAS
5933-87-9- Standard SMILES
CCCCCCCCCC(=O)OCCCCC- InChIKey
BGYFCELTJPRWBA-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Overview
Pentyl decanoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Pentyl decanoate
- IUPAC
- pentyl decanoate
- English name
- n-Capric acid n-amyl ester
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
Pentyl decanoateAmyl decanoateAmyl caprateDecanoic acid, pentyl esterAmyl caprinateEINECS 227-682-4AI3-07947DTXSID00208064WE(5:0/10:0)RefChem:171514DTXCID20130555227-682-4
Show more names
n-Amyl DecanoateN-AMYL N-DECANOATEAmyl Decanoate >CapricacidamylesterNatural Amyl CaprateCapric acid pentyl ester
BGYFCELTJPRWBA-UHFFFAOYSA-N5933-87-9N-Capric acid N-amyl esterMFCD00059454Decanoic Acid Amyl EsterDecanoic Acid Pentyl EsterPentyldecanoatePentyl decanoate #
Database identifiers
- CAS
5933-87-9- PubChem CID
- 550768
- DTXSID
DTXSID00208064- ChEBI
CHEBI:172092- UNII
- MPU26M3L4R
- EC Number
- 227-682-4
- Nikkaji
- J115.101K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Boiling Point167.00 °C. @ 20.00 mm Hg
Physicochemical properties
- Density
- 0 · 0,86 g/cm3
- refractive index
- 1.43 · 1.4300-1.4340
- FLAVIS Number
- 9.188 · 09.188 | Pentyl decanoate
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. fruity cognac winey
- Odor Type
- fruity
- LogP
- 6.553 · 6.553 (est)
- Substances Added to Food (formerly EAFUS)
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% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Decanoic acid, pentyl ester
Decanoic acid, pentyl 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
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2915.90.5010
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesAmyl Decanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Additional notes
DefinitionChEBI: Pentyl decanoate is a fatty acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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