2(3H)-Furanone, dihydro-4,4,5,5-tetramethyl-
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Basic information
- CAS
16466-24-3- Standard SMILES
CC1(C)CC(=O)OC1(C)C- InChIKey
DAQWSSBMLDRMBQ-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2(3H)-Furanone, dihydro-4,4,5,5-tetramethyl-
- IUPAC
- 4,4,5,5-tetramethyloxolan-2-one
- English name
- Dihydro-4,4,5,5-tetramethyl-2(3H)-furanone
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
16466-24-32(3H)-Furanone, dihydro-4,4,5,5-tetramethyl-DTXSID10338240Tetrahydrofuran-2-one,4,4,5,5-tetramethylRefChem:241641DTXCID90289327DAQWSSBMLDRMBQ-UHFFFAOYSA-N4,4,5,5-tetramethyloxolan-2-one4,4,5,5-Tetramethyldihydrofuran-2(3H)-oneSCHEMBL439923HMS1787L03MFCD00497944
Show more names
Veratric Acid Impurity 43,3,4,4-tetramethylbutyrolactoneDihydro-4,4,5,5-tetramethyl-2(3H)-furanone4,4,5,5-tetramethyl-dihydrofuran-2(3H)-one
4,4,5,5-tetramethyltetrahydrofuran-2-oneDihydro-4,4,5,5-Tetramethyl-2[3H]-FuranoneF871614,4,5,5-Tetramethyldihydro-2(3H)-furanone #Z56839147
Database identifiers
- CAS
16466-24-3- PubChem CID
- 547832
- DTXSID
DTXSID10338240
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 196.6 · 196.6±8.0 °C(Predicted)
- Density
- 0.928 · 0.928±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C8H14O2/c1-7(2)5-6(9)10-8(7,3)4/h5H2,1-4H3
- InChIKey
- DAQWSSBMLDRMBQ-UHFFFAOYSA-N
- SMILES
- O1C(C)(C)C(C)(C)CC1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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