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Carvone
CAS: 99-49-0 | C10H14O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
99-49-0
Molecular Formula:
C10H14O
Molecular Mass:
150.22 g/mol
Names and Synonyms:
Carvone
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-
p-Mentha-6,8-dien-2-one
2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one
Carvone
p-Mentha-1(6),8-dien-2-one
Karvon
5-Isopropyl-2-methyl-2-cyclohexen-1-one
DL-Carvone
(±)-Carvone
2-Methyl-5-isopropenyl-2-cyclohexenone
NSC 6275
Limonen-6-one
5-Isopropenyl-2-methylcyclohex-2-enone
2-Methyl-5-(1-methyl-1-ethenyl)-2-cyclohexen-1-one
2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
2-Methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone
Identifiers:
SMILES:
C=C(C)C1CC=C(C)C(=O)C1
InChI:
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
Key Properties
Boiling Point
231 °C
CAS Common Chemistry
Melting Point
100 °C
CAS Common Chemistry
Density
0.96 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.22 g/mol | CAS Common Chemistry |
| 150.22099999999998 g/mol | RDKit | |
| 150.104465068 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9600 g/cm3 @ Temp: 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carvone | CAS Common Chemistry |
| Boiling Point | 231 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C(=CCC(C(=C)C)C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ULDHMXUKGWMISQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100 °C | CAS Common Chemistry |
| Name | Carvone | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.4879000000000007 | RDKit |
| Molar Refractivity | 46.30200000000003 | RDKit |
