Basic information
- CAS
14189-85-6- Standard SMILES
COC1=C(C)CCC1=O- InChIKey
GTEGQQAMGYNDKS-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 2-Methoxy-3-methyl-2-cyclopentenone
- IUPAC
- 2-methoxy-3-methylcyclopent-2-en-1-one
- English name
- 2-methoxy-3-methylcyclopent-2-en-1-one
- Molecular formula
- C7H10O2
- Molecular weight
- 126.1531
Names & synonyms
14189-85-62-Cyclopenten-1-one, 2-methoxy-3-methyl-2-Methoxy-3-methyl-2-cyclopentenone2-methoxy-3-methyl-2-cyclopenten-1-oneEINECS 238-042-9NSC 177460NSC-177460DTXSID5065724KK59159647RefChem:474196DTXCID90346042-Methoxy-3-methylcyclopent-2-en-1-one
Show more names
Cyclotene monomethyl etherUNII-KK59159647NSC177460SCHEMBL104545722-methoxy-3-methyl-cyclopentenone2-Cyclopenten-1-one,2-methoxy-3-methyl-DS-004049NS00024604
Database identifiers
- CAS
14189-85-6- PubChem CID
- 84249
- DTXSID
DTXSID5065724- UNII
- KK59159647
- EC Number
- 238-042-9
- Nikkaji
- J216.898G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 45 · 45-47 °C(Press: 0.4 Torr)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- LogP
- 0.091 · 0.091 (est)
- FDA UNII
- 59159647 · KK59159647
- EPA Substance Registry System
- 2 · 2-Cyclopenten-1-one, 2-methoxy-3-methyl- (14189-85-6)
- 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-methyl-: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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