Dimethylketene dimer
Basic information
- CAS
3173-79-3- Standard SMILES
CC(C)=C1OC(=O)C1(C)C- InChIKey
OKAAPXFKYOTAEN-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Dimethylketene dimer
- IUPAC
- 3,3-dimethyl-4-propan-2-ylideneoxetan-2-one
- English name
- 2,2-dimethyl-3-isopropyliden-beta-propiolactone
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
Dimethylketene dimer3173-79-34-Isopropylidene-3,3-dimethyl-2-oxetanoneNSC 743122-Oxetanone, 4-isopropylidene-3,3-dimethyl-2-Oxetanone, 3,3-dimethyl-4-(1-methylethylidene)-EINECS 221-643-519F2Y215MJNSC-743122,2,4-Trimethylpent-3-en-3-olide3,3-Dimethyl-4-(1-methylethylidene)-2-oxetanone2,2,4-Trimethyl-3-hydroxy-3-pentenoic acid beta lactone
Show more names
2,2,4-Trimethyl-3-penten-3-olide3,3-Dimethyl-4-(1-methylethylidene)oxetan-2-one2,2-dimethyl-3-isopropyliden-beta-propiolactone2,2,4-TRIMETHYL-3-HYDROXY-3-PENTENOICACIDBETA-LACTONE2-Oxetanone, 3,3-dimethyl-4-(1-methylethylidene)- (9ci)
3-Hydroxy-2,2,4-trimethyl-3-pentenoic acid, beta-lactone3-Pentenoic acid, 3-hydroxy-2,2,4-trimethyl-, beta-lactoneDTXSID201856212,2,4-TRIMETHYL-3-HYDROXY-3-PENTENOIC ACID LACTONE3-HYDROXY-2,2,4-TRIMETHYL-3-PENTENOIC .BETA.-LACTONE.BETA.-LACTONE OF 2,2,4-TRIMETHYL-3-HYDROXY-3-PENTENOIC ACID2,2,4-TRIMETHYL-3-HYDROXY-3-PENTENOIC ACID, .BETA.-LACTONE3-PENTENOIC ACID, 3-HYDROXY-2,2,4-TRIMETHYL-, .BETA.-LACTONE
Database identifiers
- CAS
3173-79-3- PubChem CID
- 96433
- DTXSID
DTXSID20185621- UNII
- 19F2Y215MJ
- EC Number
- 221-643-5
- Nikkaji
- J34.519I
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 207
Physicochemical properties
- Melting point
- -18 °C · -18°C
- Boiling point
- 170 °C · 170°C (estimate)
- Density
- 0.947 · 0.9470
- refractive index
- 1.438 · 1.4380 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 19 F2Y215MJ · 19F2Y215MJ
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Oxetanone, 3,3-dimethyl-4-(1-methylethylidene)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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