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P-Menthane
CAS: 99-82-1 | C10H20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-82-1
Molecular Formula:
C10H20
Molecular Mass:
140.27 g/mol
Names and Synonyms:
P-Menthane
Cyclohexane, 1-methyl-4-(1-methylethyl)-
p-Menthane
1-Methyl-4-(1-methylethyl)cyclohexane
1-Isopropyl-4-methylcyclohexane
1-Methyl-4-isopropylcyclohexane
4-Methyl-1-(1-methylethyl)cyclohexane
Woody River 10
1-Methyl-4-propan-2-ylcyclohexane
Identifiers:
SMILES:
CC1CCC(C(C)C)CC1
InChI:
InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3
Key Properties
Boiling Point
170.9 °C @ Press: 725 Torr
CAS Common Chemistry
Melting Point
-89.84 °C
CAS Common Chemistry
Density
0.80 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 | 140.27 g/mol | CAS Common Chemistry |
| 140.26999999999998 g/mol | RDKit | |
| 140.15650064 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8039 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/P-Menthane | CAS Common Chemistry |
| Boiling Point | 170.9 °C @ Press: 725 Torr | CAS Common Chemistry |
| Canonical SMILES | CC(C)C1CCC(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CFJYNSNXFXLKNS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -89.84 °C | CAS Common Chemistry |
| Name | 1-Isopropyl-4-methylcyclohexane | CAS Common Chemistry |
| p-Menthane | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.468700000000003 | RDKit |
| Molar Refractivity | 45.96000000000002 | RDKit |
