4-(Hexyloxy)benzaldehyde

C13H18O2CAS 5736-94-7206.28 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C13H18O2
Molar mass
206.28 g/mol
Exact mass
206.1307 Da
Boiling point
154–155 °C
logP
3.46Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5736-94-7
SMILES
CCCCCCOc1ccc(C=O)cc1
InChIKey
GWXUVWKBVROFDM-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzaldehyde, 4-(hexyloxy)-
  • Benzaldehyde, p-(hexyloxy)-
  • 4-Hexoxybenzaldehyde
  • p-(Hexyloxy)benzaldehyde
  • 4-(n-Hexyloxy)benzaldehyde
  • NSC 508752

Work with 4-(Hexyloxy)benzaldehyde

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

4-(Octyloxy)benzaldehyde24083-13-4100 % similar 4-(Decyloxy)benzaldehyde24083-16-7100 % similar p-Dodecyloxybenzaldehyde24083-19-0100 % similar 4-(Heptyloxy)benzaldehyde27893-41-0100 % similar 4-N-Nonyloxybenzaldehyde50262-46-9100 % similar 4-(Pentyloxy)benzaldehyde5736-91-497 % similar 4-Butoxybenzaldehyde5736-88-987 % similar 4-Propoxybenzaldehyde5736-85-675 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamyl phenylacetate102-19-2 1-Adamantylacrylate121601-93-2 Phenylethyl isovalerate140-26-1 4′-Hydroxyheptanophenone14392-72-4 Ibuprofen15687-27-1 Tricyclodecenyl propionate17511-60-3 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4

Elsewhere

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