1,1,3-Trimethoxybutane

C₇H₁₆O₃CAS 10138-89-3148.20 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₇H₁₆O₃
Molar mass: 148.20 g/mol
Exact mass: 148.1099 Da
Density: 0.918 g/mL (at 20 °C)
Boiling point: 157 °C
logP: 1.03Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

10138-89-3

SMILES

COC(C)CC(OC)OC

InChIKey

OMAKZNALRADTRX-UHFFFAOYSA-N

InChI

InChI=1S/C7H16O3/c1-6(8-2)5-7(9-3)10-4/h6-7H,5H2,1-4H3

Weigh it out

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

Names and synonyms

5 names

Butane, 1,1,3-trimethoxy-
Butyraldehyde, 3-methoxy-, dimethyl acetal
Butyraldehyde, β-methoxy-, dimethyl acetal
3-Methoxybutyraldehyde dimethyl acetal
NSC 127599

Work with 1,1,3-Trimethoxybutane

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

1,1,3,3-Tetramethoxypropane102-52-361 % similar 2-Methoxy-1-propanol1589-47-548 % similar Propylene glycol dimethyl ether7778-85-048 % similar 3-Methoxybutanol2517-43-344 % similar 2,5-Dimethoxytetrahydrofuran696-59-341 % similar Aminoacetaldehyde dimethyl acetal22483-09-639 % similar 1,1,2-Trimethoxyethane24332-20-539 % similar 2,2-Dimethoxyethanol30934-97-539 % similar

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

Same formula

Diethylene glycol methyl ethyl ether1002-67-1 Triethyl orthoformate122-51-0 3,3-Diethoxy-1-propanol16777-87-0 Dipropylene glycol monomethyl ether34590-94-8 1,3-Diethoxy-2-propanol4043-59-8 Trimethyl orthobutyrate43083-12-1 1,1,1-Trimethoxy-2-methylpropane52698-46-1

Elsewhere

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