5-Dodecanone
Basic information
- CAS
19780-10-0- Standard SMILES
CCCCCCCC(=O)CCCC- InChIKey
DOXYUCZSYSEALW-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Overview
5-Dodecanone has been reported in Opsanus tau with data available.
Names & identifiers
- Preferred name
- 5-Dodecanone
- IUPAC
- dodecan-5-one
- English name
- 5-Dodecanone
- Molecular formula
- C12H24O
- Molecular weight
- 184.32
Names & synonyms
5-DODECANONEDodecan-5-oneButyl heptyl ketonen-Butyl n-heptyl ketone7F67CSB3DUNSC-158524DTXSID3074284NSC 158524Dodecan5oneRefChem:102503DTXCID3036155DOXYUCZSYSEALW-UHFFFAOYSA-N
Show more names
5-DODECANONE 99%Heptylbutyl ketone
19780-10-0MFCD00015290EINECS 243-295-3NSC158524UNII-7F67CSB3DUSCHEMBL963631SCHEMBL7841204AKOS024319253
Database identifiers
- CAS
19780-10-0- PubChem CID
- 29771
- DTXSID
DTXSID3074284- UNII
- 7F67CSB3DU
- EC Number
- 243-295-3
- Nikkaji
- J99.441C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 9 · 9-11°C
- Boiling point
- 145 · 145-146°C 3mm
- Density
- 0 · 0,83 g/cm3
- Flash point
- 66 °C · 66 °C
- refractive index
- 1.421 · 1.4210
- form
- clear liquid
- color
- Colorless to Light yellow
- LogP
- 4.544 · 4.544 (est)
- CAS DataBase Reference
- 19780 · 19780-10-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- hs_code
- 2914.19.0000
- Signal word
- Warning
- safety_code
- 24/25
- 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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