Butanediol dimethacrylate

C12H18O4CAS 2082-81-7226.27 g/mol

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AlkeneEster

Properties

Molecular formula
C12H18O4
Molar mass
226.27 g/mol
Exact mass
226.1205 Da
Density
1.011 g/mL (at 25 °C)
Melting point
226.28 °C
Boiling point
110 °C (at 3 Torr)
logP
2.01Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 607-766-00-0), via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
2082-81-7
SMILES
C=C(C)C(=O)OCCCCOC(=O)C(=C)C
InChIKey
XOJWAAUYNWGQAU-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.15 (d, J = 1.4 Hz, 2H), 5.58 (d, J = 1.4 Hz, 2H), 4.08 (t, J = 7.0 Hz, 4H), 1.71 (s, 6H), 1.67 (t, J = 7.0 Hz, 4H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 166.6, 137.7, 125.4, 68.1, 26.2, 17.2.
[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

23 names · show all
  • 2-Propenoic acid, 2-methyl-, 1,1′-(1,4-butanediyl) ester
  • Methacrylic acid, tetramethylene ester
  • 2-Propenoic acid, 2-methyl-, 1,4-butanediyl ester
  • 1,4-Butanediol, dimethacrylate
  • 1,4-Butylene dimethacrylate
  • Tetramethylene glycol dimethacrylate
  • Oligotetramethylene glycol dimethacrylate
  • Tetramethylene dimethacrylate
  • 1,4-Butylene glycol dimethacrylate
  • Tetramethylene methacrylate
  • DMM 4
  • 1,4-Tetramethylene dimethacrylate
  • NK Ester BD
  • BDMA
  • BDDMA
  • SR 214B
  • SR 214E
  • Light ester 1.4BG
  • Sartomer 214
  • SR 214
  • Mhoromer MFM 405
  • n-Butane-1,4-diyl dimethacrylate
  • Visiomer 1,4-BDDMA

Work with Butanediol dimethacrylate

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

Hexamethylene dimethacrylate6606-59-3100 % similar 12-(2-Methylprop-2-enoyloxy)dodecyl 2-methylprop-2-enoate72829-09-5100 % similar Polyethylene glycol dimethacrylate25852-47-583 % similar Ethylene glycol dimethacrylate97-90-583 % similar Hexyl methacrylate142-09-681 % similar Lauryl methacrylate142-90-581 % similar Tridecyl methacrylate2495-25-281 % similar Stearyl methacrylate32360-05-781 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Butyleneglycol dimethacrylate1189-08-8 1,6-Hexanediol diacrylate13048-33-4 Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-7 Dibutyl squarate2892-62-8 1,6-Di-2-propen-1-yl hexanedioate2998-04-1

Elsewhere

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