2,2-Dimethoxypropane

C₅H₁₂O₂CAS 77-76-9104.15 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₅H₁₂O₂
Molar mass: 104.15 g/mol
Exact mass: 104.0837 Da
Density: 0.8448 g/mL (at 20 °C)
Melting point: −47 °C
Boiling point: 83 °C
logP: 1.02Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor97.7% of notifiers
H315 Causes skin irritation59% of notifiers
H319 Causes serious eye irritation97.3% of notifiers
H335 May cause respiratory irritation10.4% of notifiers

Aggregated from 222 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

77-76-9

SMILES

COC(C)(C)OC

InChIKey

HEWZVZIVELJPQZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

Propane, 2,2-dimethoxy-
Acetone, dimethyl acetal
Acetone dimethyl ketal
NSC 62085
2,2-Bis(methyloxy)propane
2,2-DMP

Work with 2,2-Dimethoxypropane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trimethyl orthoacetate1445-45-047 % similar Methyl tert-butyl ether1634-04-447 % similar Tetramethoxymethane1850-14-243 % similar 1,3-Dibromo-2,2-dimethoxypropane22094-18-437 % similar 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-435 % similar 2,2-Dimethyl-1,3-dioxolane2916-31-635 % similar Dimethylacetamide dimethyl acetal18871-66-435 % similar tert-Amyl methyl ether994-05-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropylethanediol109-59-1 1,5-Pentanediol111-29-5 4-Methoxy-1-butanol111-32-0 3-Ethoxy-1-propanol111-35-3 Neopentyl glycol126-30-7 1-Ethoxy-2-propanol1569-02-4 (2R)-2-Methyl-1,4-butanediol22644-28-6 3-Methoxybutanol2517-43-3

Elsewhere

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