tert-Butyl acrylate
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- Density
- 0.879 g/mL (at 25 °C)
- Boiling point
- 120 °C
- Flash point
- 18.9 °C
- logP
- 1.51Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- 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
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 607-245-00-8), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1663-39-4SMILES
C=CC(=O)OC(C)(C)CInChIKey
ISXSCDLOGDJUNJ-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Propenoic acid, 1,1-dimethylethyl ester
- Acrylic acid, tert-butyl ester
- tert-Butyl 2-propenoate
- 2-Propenoic acid tert-butyl ester
- tert-Butyl propenoate
- 1,1-Dimethylethyl 2-propenoate
- NSC 20950
- t-Butyl acrylate
- Light acrylate TB
- Light acrylate TBA
Work with tert-Butyl 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
1-Methylcyclopentyl prop-2-enoate178889-49-157 % similar
1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl prop-2-enoate53038-41-857 % similar
Heptafluoroisopropyl acrylate13057-08-450 % similar
Acrylic anhydride2051-76-550 % similar
Neopentyl glycol diacrylate2223-82-750 % similar
2-Methyl-2-adamantyl acrylate249562-06-950 % similar
tert-Butyl diazoacetate35059-50-850 % similar
Methyl acrylate96-33-350 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.