CAS 14739-11-8 (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl acetate (HCID 252333)

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Basic information

CAS: 14739-11-8
Standard SMILES: CC(=O)OCC1COC(C)(C)O1
InChIKey: CKCWECNJFXXSQU-UHFFFAOYSA-N
Molecular formula: C8H14O4
Average molar mass: 174.19 g/mol
Monoisotopic mass: 174.08920893

Names & identifiers

Preferred name: (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl acetate
IUPAC: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
English name: 2,2-Dimethyl-4-(acetoxymethyl)-1,3-dioxolane
Molecular formula: C8H14O4
Molecular weight: 174.19

Names & synonyms

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl acetate14739-11-8DTXSID70291206RefChem:1049575DTXCID502423524-acetoxymethyl-2,2-dimethyl-1,3-dioxolane2,2-Dimethyl-4-(acetoxymethyl)-1,3-dioxolaneNSC74009Landiolol Impurity 145SCHEMBL4613461,3-Dioxolane-4-methanol, 2,2-dimethyl-, acetate1, 2,2-dimethyl-, acetate

Show more names

2,2-Dimethyl-1,3-dioxolane-4-methanol acetate1,3-Dioxolane-4-methanol, 2,2-dimethyl-, 4-acetateAcetic acid 2,2-dimethyl-1,3-dioxolane-4-ylmethyl esterAcetic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester

(2,2-DIMETHYL-1,3-DIOXAN-4-YL)METHYL ACETATENSC-74009F97024(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl acetate #

Database identifiers

CAS: 14739-11-8
PubChem CID: 252333
DTXSID: DTXSID70291206
Nikkaji: J111.077B

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 176

Physicochemical properties

Boiling point: 85 · 85-86 °C(Press: 10-11 Torr)
Density: 1.044 · 1.044±0.06 g/cm3(Predicted)

Chemistry & industry

Applications · 1 item

Uses4-Acetoxymethyl-2,2-dimethyl-1,3-dioxolane is an intermediate in the synthesis of Glycerol 1-Acetate (G601570),a derivative of Triacetin (T720850) which is used as a food additive and flavorings. Triacetin can be used as an excipient in pharmaceutical products where it is used as a humectant, a plasticizer, and as a solvent. Triacetin can also be used as a fuel additive as an antiknock agent.