5-Decanone
Basic information
- CAS
820-29-1- Standard SMILES
CCCCCC(=O)CCCC- InChIKey
JDPQWHLMBJZURR-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Overview
5-decanone has been reported in Punica granatum with data available.
Names & identifiers
- Preferred name
- 5-Decanone
- IUPAC
- decan-5-one
- English name
- 5-Decanone
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
Decan-5-one5-DECANONE820-29-1butyl pentyl ketoneM5DF2T095SEINECS 212-469-0PENTYL BUTYL KETONENSC-244937AI3-19946DTXSID60231510NSC 244937Decan5one
Show more names
Decane-5-one5-Decanone,99%Butylpentyl ketonen-Amyl n-butyl ketonen-pentyl n-butyl ketone
RefChem:535245DTXCID90154001212-469-0MFCD00053805NSC244937UNII-M5DF2T095SSCHEMBL493672orb1986698
Database identifiers
- CAS
820-29-1- PubChem CID
- 13175
- DTXSID
DTXSID60231510- UNII
- M5DF2T095S
- EC Number
- 212-469-0
- Nikkaji
- J121.767D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97
Experimental & physicochemical properties
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesDensity
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -9.2 °C · -9.2°C
- Boiling point
- 203.85 °C · 203.85°C
- Density
- 0.8284 · 0.8284 (estimate)
- refractive index
- 1.4244 · 1.4244 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 DF2T095S · M5DF2T095S
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1993 · 1993
- PackingGroup
- III
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
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Dipropyl ketone.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- ridadr
- 1993
- risk_code
- 10
- safety_code
- 16
- packing_group
- III
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…