2-Furfural diethyl acetal

C9H14O3CAS 13529-27-6170.21 g/mol

Open in Covalent MOL file
OOO
AcetalEther

Properties

Molecular formula
C9H14O3
Molar mass
170.21 g/mol
Exact mass
170.0943 Da
Boiling point
191.5 °C
logP
2.35Crippen estimate
Polar surface area
31.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13529-27-6
SMILES
CCOC(OCC)c1ccco1
InChIKey
SEILDMUKBMYIEZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Furaldehyde, diethyl acetal
  • Furan, 2-(diethoxymethyl)-
  • 2-(Diethoxymethyl)furan
  • 2-Furancarboxaldehyde diethyl acetal
  • Furfural diethyl acetal

Work with 2-Furfural diethyl acetal

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

(Diethoxymethyl)benzene774-48-150 % similar Furfurylidene diacetate613-75-246 % similar 2-Bromobenzaldehyde diethyl acetal35822-58-344 % similar 1-Bromo-4-(diethoxymethyl)benzene34421-94-841 % similar α-Methyl-2-furanmethanol4208-64-441 % similar Ethyl 2-furoate1335-40-641 % similar Ethyl 2-furoate614-99-341 % similar 3-Bromobenzaldehyde diethyl acetal75148-49-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-oxocyclohexanecarboxylate1655-07-8 Ethyl 4-oxocyclohexanecarboxylate17159-79-4 Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione185815-59-2 Ethyl 2-(2-oxocyclopentyl)acetate20826-94-2 Tetrahydrofurfuryl methacrylate2455-24-5 Ethyl 3-oxocyclohexanecarboxylate33668-25-6 (1R,4R)-Methyl 4-formylcyclohexanecarboxylate54274-80-5 (R)-1,4-Dioxaspiro[4,5]decane-2-carboxaldehyde78008-36-3

Elsewhere

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