2,2-Dimethyl-3-oxopentanal
Basic information
- CAS
106921-60-2- Standard SMILES
CCC(=O)C(C)(C)C=O- InChIKey
PVYBKZHBCCMBPS-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-oxopentanal
- IUPAC
- 2,2-dimethyl-3-oxopentanal
- English name
- 2,2-dimethyl-3-oxopentanal
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
2,2-DIMETHYL-3-OXOPENTANAL106921-60-2DTXSID40452882RefChem:243473DTXCID70403701Pentanal, 2,2-dimethyl-3-oxo-MFCD1184661622-Dimethyl-3-oxopentanal2,2-dimethyl-3-oxo-pentanalSCHEMBL2071264SCHEMBL3500005SCHEMBL28252779
Show more names
2,2-dimethyl-3-oxopentanal ISO 9001：2015 REACH
PVYBKZHBCCMBPS-UHFFFAOYSA-NGEA92160AKOS016013201AS-58747DB-103875EN300-71050162,2-dimethyl-3-oxopentanal ISO 90012015 REACH2,2-Dimethyl-3-oxopentanal, stab. with citric acid
Database identifiers
- CAS
106921-60-2- PubChem CID
- 11040720
- DTXSID
DTXSID40452882- Nikkaji
- J820.580I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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