2,2-Dimethyl-5-(1-methylethylidene)-1,3-dioxane-4,6-dione
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Basic information
- CAS
2231-66-5- Standard SMILES
CC(C)=C1C(=O)OC(C)(C)OC1=O- InChIKey
XPGWFAZUEHWZIR-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-(1-methylethylidene)-1,3-dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-propan-2-ylidene-1,3-dioxane-4,6-dione
- English name
- 2,2-dimethyl-5-(1-methylethylidene)-1,3-dioxane-4,6-dione
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
2231-66-52,2-Dimethyl-5-(1-methylethylidene)-1,3-dioxane-4,6-dioneEINECS 218-770-3DTXSID60176856RefChem:81067DTXCID7099347218-770-32,2-dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione2,2-Dimethyl-5-(1-Methyl Ethylidene)-1,3-Dioxane-4,6-Dione2,2-dimethyl-5-propan-2-ylidene-1,3-dioxane-4,6-dioneMFCD160384815-isopropylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
Show more names
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(1-methylethylidene)-6,6-dimethyl-3-(propan-2-ylidene)dihydro-2H-pyran-2,4(3H)-dione(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
5-Isopropylidene-2,2-dimethyl-[1,3]dioxane-4,6-dioneisopropylidene Meldrum's acidSCHEMBL708252,2-Dimethyl-5-isopropylidene-1,3-dioxane-4,6-dioneLT0018AKOS015915309AS-39701SY125033
Database identifiers
- CAS
2231-66-5- PubChem CID
- 75218
- DTXSID
DTXSID60176856- EC Number
- 218-770-3
- Nikkaji
- J213.122F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 128 ℃ · 128℃ (ethanol )
- Boiling point
- 378 · 378.0±35.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340
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
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340
Suppliers
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Related reactions
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Compound notes
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