trans-2-Hexenal

C₆H₁₀OCAS 6728-26-398.14 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₆H₁₀O
Molar mass: 98.14 g/mol
Exact mass: 98.0732 Da
Density: 0.841–0.848 g/mL
Melting point: 159.6 °C
Boiling point: 146.5 °C
logP: 1.54Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H226 Flammable liquid and vapor96.6% of notifiers
H302 Harmful if swallowed99.7% of notifiers
H311 Toxic in contact with skin96.4% of notifiers
H317 May cause an allergic skin reaction99.4% of notifiers
H319 Causes serious eye irritation78.7% of notifiers
H411 Toxic to aquatic life with long lasting effects94.8% of notifiers

Aggregated from 1,801 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

6728-26-3

SMILES

CCC/C=C/C=O

InChIKey

MBDOYVRWFFCFHM-SNAWJCMRSA-N

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+

Weigh it out

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

Names and synonyms

10 names

2-Hexenal, (2E)-
2-Hexenal, (E)-
Leaf aldehyde
(2E)-2-Hexenal
trans-2-Hexen-1-al
(E)-2-Hexenal
(E)-2-Hexen-1-al
(2E)-Hexenal
Green leaf aldehyde
(E)-Hex-2-enal

Work with trans-2-Hexenal

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

trans-2-Heptenal18829-55-573 % similar (E)-2-Octenal2548-87-070 % similar 2-Nonenal18829-56-667 % similar 2-Dodecenal20407-84-567 % similar 2-Nonenal2463-53-867 % similar 2-Undecenal2463-77-667 % similar (2E)-Decenal3913-81-367 % similar (E)-2-Undecenal53448-07-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexene-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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