Isobutyl acrylate
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- Density
- 0.8498 g/mL (at 22 °C)
- Melting point
- −61 °C
- Boiling point
- 132 °C
- Flash point
- 30 °C (open cup)
- Water solubility
- 2 g/L (25 °C)
- logP
- 1.37Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vaporFlammable liquids
- H312 Harmful in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 607-115-00-0), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
106-63-8SMILES
C=CC(=O)OCC(C)CInChIKey
CFVWNXQPGQOHRJ-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2-Propenoic acid, 2-methylpropyl ester
- Acrylic acid, isobutyl ester
- Isobutyl 2-propenoate
- NSC 20949
- Light acrylate AIB
- IBA
- 2-Methylpropyl prop-2-enoate
Work with Isobutyl 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
2-Hydroxypropyl acrylate999-61-165 % similar
2-Ethylbutyl acrylate3953-10-461 % similar
Glycidyl acrylate106-90-160 % similar
Isobutyl crotonate589-66-260 % similar
Isooctyl acrylate29590-42-959 % similar
Tripropylene glycol diacrylate42978-66-557 % similar
Ethylene glycol diacrylate26570-48-956 % similar
Ethyl acrylate140-88-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.