1,6-Hexanediol diacrylate

C12H18O4CAS 13048-33-4226.27 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C12H18O4
Molar mass
226.27 g/mol
Exact mass
226.1205 Da
Density
1.01 g/mL
Melting point
below 25 °C
Boiling point
158–165 °C (at 5 Torr)
Flash point
93.3 °C
Water solubility
< 100 mg/L (17.8 °C)
logP
2.01Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 607-109-00-8), via PubChem.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
13048-33-4
SMILES
C=CC(=O)OCCCCCCOC(=O)C=C
InChIKey
FIHBHSQYSYVZQE-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.43 (dd, J = 16.8, 1.4 Hz, 2H), 6.05 (dd, J = 16.8, 10.8 Hz, 2H), 5.80 (dd, J = 10.8, 1.4 Hz, 2H), 4.08 (t, J = 7.0 Hz, 4H), 1.67 (quint, J = 7.0 Hz, 4H), 1.27 (t, J = 7.0 Hz, 4H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 166.6, 130.3, 129.6, 68.4, 30.0, 26.2.
[M + H]+
[M + H]+ Calcd for C12H19O4 227.1278
[M + Na]+
[M + Na]+ Calcd for C12H18NaO4 249.1097
[M − H]−
[M − H]− Calcd for C12H17O4 225.1132
Elemental analysis
Anal. Calcd for C12H18O4: C, 63.70; H, 8.02.

Weigh it out

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

Names and synonyms

63 names · show all
  • 2-Propenoic acid, 1,1′-(1,6-hexanediyl) ester
  • Acrylic acid, hexamethylene ester
  • 2-Propenoic acid, 1,6-hexanediyl ester
  • Hexamethylene diacrylate
  • Hexamethylene acrylate
  • Hexamethyleneglycol diacrylate
  • 1,6-Hexanediyl diacrylate
  • SR 238
  • 1,6-Hexamethylene diacrylate
  • Sartomer SR 238
  • Setalux UV 2243
  • Hexaneglycol diacrylate
  • HDDA
  • Kayarad HDDA
  • Light acrylate 1,6HX-A
  • 1,6-HDDA
  • 1,6-Hexenediol diacrylate
  • NK Ester A-HD
  • C 716
  • Viscoat 230
  • Photomer 4017
  • 1,6HX-A
  • AHD
  • Sartomer 238
  • 1,6-Hexamethylenediol diacrylate
  • Kayarad KS-HDDA
  • Actilane 425
  • Light ester 1.6HX-A
  • Laromer HDDA
  • HDODA
  • Hexamethylenediol diacrylate
  • Genomer 1223
  • NK Ester A-HD-N
  • KS-HDDA
  • SR 238F
  • AgiSyn 2816
  • A-HD-N
  • 1.6HX
  • EM 221
  • C 6DA
  • V 230
  • M 200
  • SM 626
  • M 200 (Acrylate)
  • Photomer 4017F
  • SR 2389
  • EM 221TF
  • SR 238NS
  • Light acrylate SR 238F
  • SR 238B
  • FA 126AS
  • 1,2-Bisacryloyloxyhexane
  • Miramer M 200
  • 1,6-Hexandiol diacrylate
  • Newfrontier HDDA
  • LM 254
  • Hexylene-1,6-diacrylate
  • Doublemer HDDA
  • Cognis 4017
  • Fancryl FA 126AS
  • 1,6-Hexyleneglycol diacrylate
  • SR 238TFN
  • EM 2021

Work with 1,6-Hexanediol diacrylate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Butylene glycol diacrylate1070-70-895 % similar Hexadecyl acrylate13402-02-378 % similar Decyl acrylate2156-96-978 % similar Lauryl acrylate2156-97-078 % similar Octyl acrylate2499-59-478 % similar Hexyl acrylate2499-95-878 % similar Stearyl acrylate4813-57-478 % similar Ethylene glycol diacrylate26570-48-977 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Butyleneglycol dimethacrylate1189-08-8 Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-7 Butanediol dimethacrylate2082-81-7 Dibutyl squarate2892-62-8 1,6-Di-2-propen-1-yl hexanedioate2998-04-1

Elsewhere

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