Crotonaldehyde
Properties
- Molecular formula
- C4H6O
- Molar mass
- 70.09 g/mol
- Exact mass
- 70.0419 Da
- Density
- 0.853 g/mL (at 20 °C)
- Melting point
- −76.5 °C
- Boiling point
- 102 °C
- logP
- 0.76Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H340 May cause genetic defectsGerm cell mutagenicity
NITE-CMC, via PubChem.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
4170-30-3SMILES
CC=CC=OInChIKey
MLUCVPSAIODCQM-UHFFFAOYSA-NInChI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2-Butenal
- Crotonal
- Crotonic aldehyde
- 1-Formylpropene
- 2-Butenaldehyde
- NSC 56354
- But-2-en-1-al
Work with Crotonaldehyde
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Sorbaldehyde142-83-673 % similar
Trans,trans-2,4-Hexadiene5194-51-446 % similar
2,4-Hexadiene592-46-146 % similar
(E)-2-Pentenal1576-87-040 % similar
3-(Dimethylamino)-2-propenal927-63-940 % similar
Glyoxal107-22-238 % similar
2,4-Heptadienal4313-03-536 % similar
2,4-Heptadienal5910-85-036 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds