Basic information
- CAS
26118-38-7- Standard SMILES
CCCC(C)(C)C(C)=O- InChIKey
LJZPWSZYYTUCDP-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
3,3-dimethyl-2-Hexanone is a ketone.
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-hexanone
- IUPAC
- 3,3-dimethylhexan-2-one
- English name
- 3,3-dimethyl-2-hexanone
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
3,3-DIMETHYL-2-HEXANONE26118-38-7DTXSID20180752RefChem:1065622DTXCID601032433,3-dimethylhexan-2-one2-Hexanone, 3,3-dimethyl-3,3-dimethyl-hexan-2-one3,3-Dimethyl-2-hexanone #SCHEMBL126222SCHEMBL859738SCHEMBL6364655
Show more names
CHEBI:229290AKOS006324321
Database identifiers
- CAS
26118-38-7- PubChem CID
- 33333
- DTXSID
DTXSID20180752- ChEBI
CHEBI:229290- Nikkaji
- J110.707K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -32.24 °C · -32.24°C (estimate)
- Boiling point
- 162.67 °C · 162.67°C (estimate)
- Density
- 0.8203 · 0.8203 (estimate)
- refractive index
- 1.4098 · 1.4098
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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