chempirical

Hexyl acrylate

C9H16O2CAS 2499-95-8156.22 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C9H16O2
Molar mass
156.22 g/mol
Exact mass
156.1150 Da
Density
0.8882 g/mL (at 20 °C)
Melting point
−45 °C
Boiling point
40 °C
logP
2.30Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
2499-95-8
SMILES
C=CC(=O)OCCCCCC
InChIKey
LNMQRPPRQDGUDR-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3

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

Names and synonyms

5 names
  • 2-Propenoic acid, hexyl ester
  • Acrylic acid, hexyl ester
  • n-Hexyl acrylate
  • Hexyl 2-propenoate
  • NSC 11786

Work with Hexyl acrylate

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

Hexadecyl acrylate13402-02-3100 % similar Decyl acrylate2156-96-9100 % similar Lauryl acrylate2156-97-0100 % similar Octyl acrylate2499-59-4100 % similar Stearyl acrylate4813-57-4100 % similar 1,6-Hexanediol diacrylate13048-33-478 % similar 1,4-Butylene glycol diacrylate1070-70-874 % similar Di-N-octyl maleate2915-53-970 % similar

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

Same formula

Gamma-nonalactone104-61-0 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-6 Allyl hexanoate123-68-2 Olean180-84-7 2,6-Dimethyl-3,5-heptanedione18362-64-6 4-Hydroxynonenal29343-52-0 Ethyl cyclohexanecarboxylate3289-28-9 Delta-nonalactone3301-94-8

Elsewhere

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