chempirical

Citral

C10H16OCAS 5392-40-5152.24 g/mol

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O
AldehydeAlkene

Properties

Molecular formula
C10H16O
Molar mass
152.24 g/mol
Exact mass
152.1201 Da
Density
0.891–0.897 g/mL (at 15 °C)
Melting point
below −10 °C
Boiling point
227 °C
logP
2.88Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
5392-40-5
SMILES
CC(C)=CCCC(C)=CC=O
InChIKey
WTEVQBCEXWBHNA-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3

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Names and synonyms

7 names
  • 2,6-Octadienal, 3,7-dimethyl-
  • 3,7-Dimethyl-2,6-octadienal
  • Lemsyn GB
  • 3,7-Dimethyl-2,6-octadien-1-al
  • Lemarome N
  • NSC 6170
  • Citral PQ extra

Work with Citral

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

Squalene111-02-459 % similar Pseudoionone141-10-656 % similar Farnesylacetone1117-52-853 % similar Geranylacetone3796-70-153 % similar Teprenone6809-52-553 % similar 6,10-Dimethyl-5,9-undecadien-2-one689-67-853 % similar 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one762-29-853 % similar Geranyl formate105-86-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

α-Pinene oxide1686-14-2 (-)-Perillyl alcohol18457-55-1 (-)-Myrtenol19894-97-4 (-)-cis-Carveol2102-59-2 (±)-Camphor21368-68-3 (1S,4R)-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol22972-51-6 2,4-Decadienal2363-88-4 (E,E)-2,4-Decadienal25152-84-5

Elsewhere

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