3,3-Diethoxy-1-propyne

C₇H₁₂O₂CAS 10160-87-9128.17 g/mol

Open in Covalent MOL file

Acetal Alkyne Ether

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
Boiling point: 139 °C
logP: 1.02Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor98% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 51 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

10160-87-9

SMILES

C#CC(OCC)OCC

InChIKey

RGUXEWWHSQGVRZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3

Weigh it out

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

Names and synonyms

10 names

1-Propyne, 3,3-diethoxy-
Propiolaldehyde, diethyl acetal
Propyne, 3,3-diethoxy-
Propynal diethyl acetal
2-Propyn-1-al diethyl acetal
3,3-Diethoxypropyne
1,1-Diethoxyprop-2-yne
NSC 45019
Propargylaldehyde diethyl acetal
2-Propynal diethyl acetal

Reactions

Alkynes via phase transfer–catalyzed dehydrohalogenation: propiolaldehyde diethyl acetal (1-Propyne, 3,3-diethoxy-)product

Work with 3,3-Diethoxy-1-propyne

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

Diethoxyacetonitrile6136-93-250 % similar (3,3-Diethoxy-1-propyn-1-yl)benzene6142-95-642 % similar 1,1-Diethoxyethane105-57-739 % similar 1,1,3,3-Tetraethoxypropane122-31-639 % similar Ethoxyacetylene927-80-038 % similar Dimethylformamide diethyl acetal1188-33-636 % similar 3,3-Diethoxypropionitrile2032-34-036 % similar Glycidaldehyde diethyl acetal13269-77-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-5

Elsewhere

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