CAS 15028-56-5 2,2-Dimethyl-4-((phenylmethoxy)methyl)-1,3-dioxolane (HCID 85795)

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Basic information

CAS: 15028-56-5
Standard SMILES: CC1(C)OCC(COCc2ccccc2)O1
InChIKey: DBFDSKSLTCMIPB-UHFFFAOYSA-N
Molecular formula: C13H18O3
Average molar mass: 222.28 g/mol
Monoisotopic mass: 222.12559444

Names & identifiers

Preferred name: 2,2-Dimethyl-4-((phenylmethoxy)methyl)-1,3-dioxolane
IUPAC: 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
English name: 1-Benzyl-2,3-O-isopropylidene glycerol
Molecular formula: C13H18O3
Molecular weight: 222.28

Names & synonyms

15028-56-54-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolane4-((Benzyloxy)methyl)-2,2-dimethyl-1,3-dioxolane2,2-Dimethyl-4-[(phenylmethoxy)methyl]-1,3-dioxolaneDTXSID3012209252,2-Dimethyl-4-((phenylmethoxy)methyl)-1,3-dioxolaneDTXSID70931897RefChem:1059126DTXCID001447196DTXCID301360597239-110-01-Benzyl-2,3-O-isopropylidene Glycerol

Show more names

4-((BENZYLOXY)METHYL)2,2-DIMETHYL2,2-DiMethyl-4-[(phenylMethoxy)Methyl]-1-O-Benzyl-2-O,3-O-isopropylideneglycerol2,2-Dimethyl-4-(benzyloxymethyl)-1,3-dioxolane-2,2-Dimethyl-4-(benzyloxymethyl)-1,3-dioxolane2,2-Dimethyl-4-[(benzyloxy)methyl]-1,3-dioxolane(4S)-Benzyloxymethyl-2,2-dimethyl-[1,3]dioxolane(+-)-4-(benzyloxymethyl)-2,2-*dimethyl-1,3-dioxol(+-)-4-(BENZYLOXYMETHYL)-2,2-DIMETHYL-1, 3-DIOXOLAN

2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane4-(Benzyloxymethyl)-2,2-dimethyl-1,3-dioxolane1,3-Dioxolane, 2,2-dimethyl-4-[(phenylmethoxy)methyl]-NSC75108EINECS 239-110-0NSC 7510876189-94-1(4S)-4-(Benzyloxymethyl)-2,2-dimethyl-1,3-dioxolane

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 209

Physicochemical properties

Boiling point: 89 · 89-91 °C0.1 mm Hg(lit.)
Density: 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.494(lit.)
Flash point: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
F: 10 · 10-23

Safety & regulation

Safety data

F: 10-23
wgk: 3
safety_code: 23-24/25

Chemistry & industry

Applications

Uses1-Benzyl-2,3-O-isopropylidene Glycerol is used in the preparation of the analogs of dioxolanes Dexoxadrol and Etoxadrol as potential phencyclidine-like agents.