Nonanoic acid, pentyl ester
Basic information
- CAS
61531-45-1- Standard SMILES
CCCCCCCCC(=O)OCCCCC- InChIKey
DZOQJRHASSOUOU-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- Nonanoic acid, pentyl ester
- IUPAC
- pentyl nonanoate
- English name
- pentyl nonan-1-oate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
Amyl pelargonate61531-45-1Nonanoic acid, pentyl esterEINECS 262-831-7AI3-33591RefChem:854614Amyl nonanoatePentyl nonanoatePentyl nonan-1-oatePentyl nonanoate #SCHEMBL2397146SCHEMBL7836216
Show more names
Nonanoic acid pentyl esterPelargonic acid pentyl ester
SCHEMBL7841342DTXSID4069478DB-321351NS00034715Q63392757
Database identifiers
- CAS
61531-45-1- PubChem CID
- 109095
- DTXSID
DTXSID4069478- EC Number
- 262-831-7
- Nikkaji
- J115.093F
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -27 °C · -27°C
- Boiling point
- 270.19 °C · 270.19°C (estimate)
- Density
- 0.8506 · 0.8506
- refractive index
- 1.4318 · 1.4318
- Odor
- 100 % · at 100.00 %. apricot floral cognac
- Odor Type
- floral
- LogP
- 5.88 · 5.880 (est)
- EPA Substance Registry System
- Amyl nonanoate (61531-45-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Nonanoic acid, pentyl ester
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNonanoic acid, pentyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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