Found 1 result

Search term: 3beta-hydroxy-beta-cyclocitral (Found by synonym)

ChemSpider 2D Image | hydroxy-beta-cyclocitral | C10H16O2

hydroxy-β-cyclocitral

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID23107136
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-carbaldehyd [German] [ACD/IUPAC Name]
(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexene-1-carbaldehyde [ACD/IUPAC Name]
(4R)-4-Hydroxy-2,6,6-triméthyl-1-cyclohexène-1-carbaldéhyde [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxaldehyde, 4-hydroxy-2,6,6-trimethyl-, (4R)- [ACD/Index Name]
hydroxy-β-cyclocitral
(3<i>S</i&gt;)-hydroxy-&β;-cyclocitral
(3S)-3-hydroxycyclocitral
(3S)-3-hydroxycyclocitral
(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-enecarbaldehyde
More...
  • Miscellaneous
    • Chemical Class:

      A monoterpenoid formally derived from <greek>beta</greek>-cyclocitral by hydroxylation. ChEBI CHEBI:53167
      A monoterpenoid formally derived from beta-cyclocitral by hydroxylation. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53167
    • Compound Source:

      Arabidopsis thaliana col PlantCyc CPD-8661
      carotenoid cleavage PlantCyc CPD-8661
      crocetin biosynthesis PlantCyc CPD-8661
      Linum usitatissimum PlantCyc CPD-8661
      Oryza sativa Japonica Group PlantCyc CPD-8661
      Salvia miltiorrhiza PlantCyc CPD-8661
      Zea mays subsp. mays PlantCyc CPD-8661
      zeaxanthin + 2 oxygen -> crocetin dialdehyde + 2 3beta-hydroxy-beta-cyclocitral PlantCyc CPD-8661
    • Bio Activity:

      beta-citraurin + oxygen -> crocetin dialdehyde + 3beta-hydroxy-beta-cyclocitral PlantCyc CPD-8661
      UDP-alpha-D-glucose + 3beta-hydroxy-beta-cyclocitral -> picrocrocin + UDP + H+ PlantCyc CPD-8661
      zeaxanthin + 2 oxygen -> crocetin dialdehyde + 2 3beta-hydroxy-beta-cyclocitral PlantCyc CPD-8661
      zeaxanthin + oxygen -> beta-citraurin + 3beta-hydroxy-beta-cyclocitral PlantCyc CPD-8661

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 267.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.7±6.0 kJ/mol
Flash Point: 111.2±19.9 °C
Index of Refraction: 1.540
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.72
ACD/KOC (pH 5.5): 304.75
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.72
ACD/KOC (pH 7.4): 304.75
Polar Surface Area: 37 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 157.7±3.0 cm3

Click to predict properties on the Chemicalize site






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