2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl-
Basic information
- CAS
69898-48-2- Standard SMILES
COC1=C(C)CC(C)C1=O- InChIKey
IMXXGEZPPYRXAP-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl-
- IUPAC
- 2-methoxy-3,5-dimethylcyclopent-2-en-1-one
- English name
- 2-methoxy-3,5-dimethylcyclopent-2-en-1-one
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
69898-48-2EINECS 274-198-43,5-Dimethyl-2-methoxycyclopent-2-en-1-one2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl-DTXSID40887519RefChem:470969DTXCID7010268102-Methoxy-3,5-dimethylcyclopent-2-en-1-one2-methoxy-3,5-dimethyl-2-cyclopenten-1-oneSCHEMBL10455082NS00062070
Database identifiers
- CAS
69898-48-2- PubChem CID
- 112172
- DTXSID
DTXSID40887519- EC Number
- 274-198-4
- Nikkaji
- J318.081F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 228.3 · 228.3±39.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- Odor
- 0.01 % · at 0.01 % in propylene glycol. caramel maple syrup
- Odor Type
- caramellic
- LogP
- 1.04 · 1.040 (est)
- EPA Substance Registry System
- 2 · 2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl- (69898-48-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl-: INACTIVE
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Related reactions
2 records
Compound notes
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