Basic information
- CAS
3592-12-9- Standard SMILES
CC1(C)COC(=O)OC1- InChIKey
JRFXQKZEGILCCO-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- 5,5-Dimethyl-1,3-dioxan-2-one
- IUPAC
- 5,5-dimethyl-1,3-dioxan-2-one
- English name
- 5,5-Dimethyl-1,3-dioxan-2-one
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
5,5-Dimethyl-1,3-dioxan-2-one3592-12-9Neopentylene carbonate5,5-Dimethyl-1,3-diox-2-oneDTXSID00189485NSC 146691,3-Dioxan-2-one, 5,5-dimethyl-Carbonic acid, cyclic 2,2-dimethyltrimethylene esterRefChem:101032DTXCID30111976609-193-1JRFXQKZEGILCCO-UHFFFAOYSA-N
Show more names
TIMTEC-BB SBB007778DiMethyl triMethylene carbonate5,5-dimethyl-1,3-dioxan-2-one, tech.5,5-Dimethyl-1,3-dioxan-2-one, polymericCarbonic acid 2,2-dimethyltrimethylene esterCarbonic acid 2,2-dimethylpropane-1,3-diyl ester
2,2-dimethyltrimethylene carbonateNSC14669MFCD00014650SCHEMBL1013574SCHEMBL25837965,5-Dimethyltrimethylene carbonate5,5-dimethyl-1,3-dioxane-2-one5,5-Dimethyl-2-oxo-1,3-dioxane
Database identifiers
- CAS
3592-12-9- PubChem CID
- 137984
- DTXSID
DTXSID00189485- EC Number
- 609-193-1
- Nikkaji
- J277.266C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 105 · 105-114℃
- Boiling point
- 180.82 °C · 180.82°C (rough estimate)
- Density
- 1.1066 · 1.1066 (rough estimate)
- refractive index
- 1.473 · 1.4730 (estimate)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- Appearance
- White to off-white Solid
- BRN
- 109055 · 109055
- CAS DataBase Reference
- 3592 · 3592-12-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P362+P364
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
5 records
Compound notes
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