4-Undecanone
Basic information
- CAS
14476-37-0- Standard SMILES
CCCCCCCC(=O)CCC- InChIKey
NBSLHMOSERBUOV-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Overview
undecan-4-one has been reported in Capillipedium parviflorum with data available.
Names & identifiers
- Preferred name
- 4-Undecanone
- IUPAC
- undecan-4-one
- English name
- 4-Undecanone
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
4-UndecanoneUndecan-4-oneHeptyl propyl ketoneEINECS 238-474-8DTXSID00162798NSC 158509Undecan4oneRefChem:100572DTXCID1085289238-474-8NBSLHMOSERBUOV-UHFFFAOYSA-N14476-37-0
Show more names
p-Undecanone4-HendecanoneUndecane-4-oneN-HEPTYL N-PROPYL KETONE 97%
MFCD00048923N-HEPTYL N-PROPYL KETONEBPM2B95KTQ4-Undecanone, AldrichCPRLMFA12000061AKOS009159480NSC-158509CS-0362719
Database identifiers
- CAS
14476-37-0- PubChem CID
- 84467
- DTXSID
DTXSID00162798- UNII
- BPM2B95KTQ
- EC Number
- 238-474-8
- Nikkaji
- J126.516D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesDensity
Physical DescriptionMelting point = 4.5 deg C; [ChemIDplus] Liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 2.3 °C · 2.3°C
- Boiling point
- 104 · 104-107°C 13mm
- Density
- 0 · 0,83 g/cm3
- refractive index
- 1.428 · 1.4280
- Flash point
- 92 °C · 92°C
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Orange to Green
- Odor
- fruity
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 2-Undecanone.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- wgk
- WGK 3
- hs_code
- 2914.19.0000
- Signal word
- Warning
- safety_code
- 23-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Suppliers
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Related reactions
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Compound notes
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