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| CAS No.: | 5524-05-0 |
|---|---|
| Name: | (+)-DIHYDROCARVONE MIXTURE OF ISOMERS |
| Molecular Structure: | |
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| Formula: | C10H16 O |
| Molecular Weight: | 152.236 |
| Synonyms: | Cyclohexanone,2-methyl-5-(1-methylethenyl)-, (2R-trans)-; p-Menth-8-en-2-one, (+)- (8CI);(+)-Dihydrocarvone; (+)-trans-Dihydrocarvone; (1R,4R)-(+)-Dihydrocarvone;(1R,4R)-Dihydrocarvone; (2R,5R)-5-Isopropenyl-2-methylcyclohexanone;d-Dihydrocarvone |
| EINECS: | 226-872-4 |
| Density: | 0.928 g/mL at 20oC(lit.) |
| Boiling Point: | 87-88oC/6mmHg |
| Flash Point: | 102oC |
| Safety: | 2044615 |
| PSA: | 17.07000 |
| LogP: | 2.56780 |
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- Total:33 Page 1 of 1 1
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Chemistry
Molecule structure of (+)-Dihydrocarvone (CAS NO.5524-05-0):
IUPAC Name: (2R,5R)-2-Methyl-5-prop-1-en-2-ylcyclohexan-1-one
Molecular Weight: 152.23344 [g/mol]
Molecular Formula: C10H16O
Index of Refraction: 1.457
Molar Refractivity: 45.88 cm3
Molar Volume: 168.4 cm3
Surface Tension: 27.9 dyne/cm
Density: 0.903 g/cm3
Flash Point: 82.6 °C
Enthalpy of Vaporization: 45.79 kJ/mol
Boiling Point: 221.5 °C at 760 mmHg
Vapour Pressure: 0.107 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 152.120115
MonoIsotopic Mass: 152.120115
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Canonical SMILES: CC1CCC(CC1=O)C(=C)C
Isomeric SMILES: C[C@@H]1CC[C@H](CC1=O)C(=C)C
InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
InChIKey: AZOCECCLWFDTAP-RKDXNWHRSA-N
EINECS: 226-872-4
Safety Profile
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Specification
(+)-Dihydrocarvone (CAS NO.5524-05-0) is also named as d-Dihydrocarvone ; (2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-one ; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)- ; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2theta-trans)- ; (+)-p-Menth-8-en-2-one ; (2R,5R)-2-Méthyl-5-(1-propèn-2-yl)cyclohexanone ; (2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexanone ; (2R,5R)-5-Isopropenyl-2-methylcyclohexanon ; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans- ; trans-2-Methyl-5-(1-methylethenyl)cyclohexanone . (+)-Dihydrocarvone (CAS NO.5524-05-0) is clear liquid.