3,5-Octanedione, 2,2,7-trimethyl-
Basic information
- CAS
69725-37-7- Standard SMILES
CC(C)CC(=O)CC(=O)C(C)(C)C- InChIKey
KEBPOWLGOOTMPK-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 3,5-Octanedione, 2,2,7-trimethyl-
- IUPAC
- 2,2,7-trimethyloctane-3,5-dione
- English name
- 2,2,7-TRIMETHYL-3,5-OCTANEDIONE
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
69725-37-72,2,7-trimethyloctane-3,5-dione2,2,7-Trimethyl-3,5-octanedione3,5-Octanedione, 2,2,7-trimethyl-DTXSID2071992RefChem:487108DTXCID6046555800-040-6MFCD00511279227-Trimethyl-35-octanedioneSCHEMBL1262761AKOS006227598
Show more names
2,2,7-TRIMETHYL-3,5-OCTADIONE2,2,7-trimethyl-5-octanedione2,2,7-Trimethyloctane-3,5-dione, 99+%2,2,7-Trimethyloctane-3,5-dione, 98+%
2,2,7-Trimethyl-3,5-octanedione #2,2,7-Trimethyloctane-3,5-dione, 97%CS-0358921F008064
Database identifiers
- CAS
69725-37-7- PubChem CID
- 112295
- DTXSID
DTXSID2071992- EC Number
- 800-040-6
- Nikkaji
- J441.316D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 44 °C · 44°C 0,2mm
- Density
- 0.9 g/ml · 0.9g/ml
- refractive index
- 1.458 · 1.4580
- Flash point
- 44 °C/0.2mm · 44°C/0.2mm
- pka
- 10.24 · 10.24±0.10(Predicted)
- CAS DataBase Reference
- 69725 · 69725-37-7(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · 3,5-Octanedione, 2,2,7-trimethyl- (69725-37-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- TSCA
- TSCA listed
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3,5-Octanedione, 2,2,7-trimethyl-: ACTIVE
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Related reactions
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Compound notes
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