-
Name
Celery ketone
- EINECS 223-069-0
- CAS No. 3720-16-9
- Article Data22
- CAS DataBase
- Density 0.904 g/cm3
- Solubility
- Melting Point
- Formula C10H16O
- Boiling Point 231.339 °C at 760 mmHg
- Molecular Weight 152.236
- Flash Point 94.621 °C
- Transport Information
- Appearance Pale yellow to colourless liquid; warm spicy woody odour, similar flavor at low levels
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-methyl-5-propylcyclohex-2-en-1-one
- PSA 17.07000
- LogP 2.71190
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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