Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ligustral |
EINECS | 268-264-1 |
CAS No. | 68039-49-6 | Density | 0.957 g/cm3 |
PSA | 17.07000 | LogP | 2.17770 |
Solubility | N/A | Melting Point |
85-90 °C |
Formula | C9H14O | Boiling Point | 189.2 °C at 760 mmHg |
Molecular Weight | 138.21 | Flash Point | 61 °C |
Transport Information | N/A | Appearance | colorless or very pale yellow liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Cyclohexene-1-carboxaldehyde,2,4-dimethyl-;(Z)-VertocitralC;2,4-Dimethyl-3-cyclohexene-1-carboxaldehyde;2,4-Dimethyl-3-cyclohexenecarboxaldehyde;2,4-Dimethyl-3-cyclohexenylcarbaldehyde;Cyclal C;Ligustral;Tricyclal;Triplal;Tripral;Zestover; |
Article Data | 10 |
Molecule structure of 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- (CAS NO.68039-49-6):
IUPAC Name: 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde
Molecular Weight: 138.20686 g/mol
Molecular Formula: C9H14O
Density: 0.957 g/cm3
Boiling Point: 189.2 °C at 760 mmHg
Flash Point: 61 °C
Index of Refraction: 1.511
Molar Refractivity: 43.29 cm3
Molar Volume: 144.2 cm3
Polarizability: 17.16×10-24 cm3
Surface Tension: 34.4 dyne/cm
Enthalpy of Vaporization: 42.54 kJ/mol
Vapour Pressure: 0.578 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 138.104465
MonoIsotopic Mass: 138.104465
Topological Polar Surface Area: 17.1
Heavy Atom Count: 10
Complexity: 158
Canonical SMILES: CC1C=C(CCC1C=O)C
InChI: InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3
InChIKey: MZZRKEIUNOYYDF-UHFFFAOYSA-N
EINECS: 268-264-1
Product Categories: ALDEHYDE; Aroma Chemicals; Alphabetical Listings; C-D; Flavors and Fragrances
3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- (CAS NO.68039-49-6) is used for flavor flavoring.
WGK Germany: 2
3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- (CAS NO.68039-49-6) is also named as 2,4-Dimethyl-3-cyclohexene carboxaldehyde ; 3-Cyclohexenene-1-carboxaldehyde, 2,4-dimethyl ; 4-Formyl-1,3-dimethylcyclohex-1-ene . 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- (CAS NO.68039-49-6) is colorless or very pale yellow liquid.