Dec-3-enoic acid
Basic information
- CAS
15469-77-9- Standard SMILES
CCCCCCC=CCC(=O)O- InChIKey
CPVUNKGURQKKKX-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
3-decenoic acid has been reported in Elsholtzia fruticosa, Origanum vulgare, and Thymus longicaulis with data available.
Names & identifiers
- Preferred name
- Dec-3-enoic acid
- IUPAC
- dec-3-enoic acid
- English name
- 3-Decenoic acid
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
dec-3-enoic acid15469-77-9DTXSID50864593RefChem:585262DTXCID20813093orb2944007SCHEMBL1162171SCHEMBL10012382CPVUNKGURQKKKX-UHFFFAOYSA-NCID 85855SY234550NS00051801
Show more names
3-Decenoic acidDEC-3-ENOICACIDEINECS 239-489-23-Decylenic acid3-DecenoicAcid>(3E)-3-Decenoic acid3-DECENOIC ACID 80+%TRANS-3-DECENOIC ACID
F869759Q27130880
Database identifiers
- CAS
15469-77-9- PubChem CID
- 85855
- DTXSID
DTXSID50864593
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 10 °C · 10 °C
- Boiling point
- 120 °C/1.5 · 120 °C/1.5 mmHg
- Density
- 0.92 · 0.92
- refractive index
- 1.45 · 1.45
- FLAVIS Number
- 8.074 · 08.074 | Dec-3-enoic acid
- form
- clear liquid
- pka
- 4.51 · 4.51±0.10(Predicted)
- color
- Colorless to Light orange to Yellow
- LogP
- 3.8 · 3.800
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
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Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Safety data
- hs_code
- 2916.19.3000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses3-Decenoic acidIt is an organic compound belonging to the class of unsaturated fatty acids. It has a strong rancid smell and is commonly found in a variety of foods, such as dairy products and meat. 3-Decenoic acidIt has various applications in the pharmaceutical industry, especially as an intermediate in the synthesis of antibacterial agents such as antibiotics. In addition, it is used as a food preservative to prevent the growth of microorganisms.
Additional notes
DefinitionChEBI: A decenoic acid having its double bond in the 3-position.
Related reactions
8 records
Compound notes
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