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Cas Database |
| Name |
Celery ketone |
EINECS | 223-069-0 |
| CAS No. | 3720-16-9 | Density | 0.904 g/cm3 |
| PSA | 17.07000 | LogP | 2.71190 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H16O | Boiling Point | 231.339 °C at 760 mmHg |
| Molecular Weight | 152.236 | Flash Point | 94.621 °C |
| Transport Information | N/A | Appearance | Pale yellow to colourless liquid; warm spicy woody odour, similar flavor at low levels |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-methyl-5-propylcyclohex-2-en-1-one |
Article Data | 22 |
Celery ketone Chemical Properties
Molecular Structure of 2-Cyclohexen-1-one,3-methyl-5-propyl- (CAS NO.3720-16-9):
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IUPAC Name: 3-Methyl-5-propylcyclohex-2-en-1-one
Molecular Formula: C10H16O
Molecular Weight: 152.23
EINECS: 223-069-0
FEMA: 3577
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 1
Index of Refraction: 1.459
Molar Refractivity: 46.06 cm3
Molar Volume: 168.3 cm3
Surface Tension: 28.2 dyne/cm
Density: 0.904 g/cm3
Flash Point: 94.6 °C
Enthalpy of Vaporization: 46.8 kJ/mol
Boiling Point: 231.3 °C at 760 mmHg
Vapour Pressure: 0.0627 mmHg at 25 °C
Product Categories: ketone Flavor
Solubility: insoluble in water; soluble in ether and oils
Appearance: Pale yellow to colourless liquid
Canonical SMILES: CCCC1CC(=CC(=O)C1)C
InChI: InChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3
InChIKey: URQMEZRQHLCJKR-UHFFFAOYSA-N
Celery ketone Specification
2-Cyclohexen-1-one,3-methyl-5-propyl- (CAS NO.3720-16-9), its Synonyms are 3-Methyl-5-propyl-2-cyclohexen-1-one ; Celery ketone ; 3-Methyl-5-propylcyclohex-2-enone .
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