Furfuryl acetate

C₇H₈O₃CAS 623-17-6140.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈O₃
Molar mass: 140.14 g/mol
Exact mass: 140.0473 Da
Density: 1.11–1.119 g/mL
Boiling point: 179 °C
Flash point: 65.6 °C
Water solubility: 5–10 g/L (22.8 °C)
logP: 1.34Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed93.6% of notifiers
H312 Harmful in contact with skin93.5% of notifiers
H332 Harmful if inhaled93.5% of notifiers

Aggregated from 1,406 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

623-17-6

SMILES

CC(=O)OCc1ccco1

InChIKey

CKOYRRWBOKMNRG-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

9 names

2-Furanmethanol, 2-acetate
Furfuryl alcohol, acetate
2-Furanmethanol, acetate
Acetic acid furfuryl ester
2-(Acetoxymethyl)furan
2-Furanmethyl acetate
2-Furylmethyl acetate
NSC 5585
(Furan-2-yl)methyl acetate

Reactions

2-FURYLMETHYL ACETATE (Furfuryl alcohol, acetate)product

Work with Furfuryl acetate

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

Furfuryl propanoate623-19-861 % similar Benzyl acetate140-11-458 % similar Furfuryl pentanoate36701-01-655 % similar 5-(Acetoxymethyl)-2-furaldehyde10551-58-350 % similar p-Methylbenzyl acetate2216-45-750 % similar Anisyl acetate104-21-247 % similar Furfurylthiol acetate13678-68-747 % similar 2-(Acetyloxy)-1-phenylethanone2243-35-845 % similar

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

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8

Elsewhere

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