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Molecule
Terpinolene
CAS: 586-62-9 · C10H16
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 586-62-9
- Molecular Formula
- C10H16
- Molecular Mass
- 136.24 g/mol
Identifiers
CAS Registry Number
586-62-9
SMILES
CC1=CCC(=C(C)C)CC1
InChI Key
MOYAFQVGZZPNRA-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
Names and Synonyms
- Terpinolene Common Name
- Cyclohexene, 1-methyl-4-(1-methylethylidene)- Synonym
- p-Mentha-1,4(8)-diene Synonym
- 1-Methyl-4-(1-methylethylidene)cyclohexene Synonym
- Terpinolene Synonym
- α-Terpinolene Synonym
- Terpinolen Synonym
- 4-Isopropylidene-1-methylcyclohexene Synonym
- Isoterpinene Synonym
- Nofmer TP Synonym
- δ-Terpinene Synonym
- Terpinolene 95PF Synonym
- 1-Methyl-4-propan-2-ylidene-cyclohexene Synonym
- 1-Methyl-4-(propan-2-ylidene)cyclohex-1-ene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.24 g/mol | CAS Common Chemistry |
| 136.238 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8623 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | C1=C(C)CCC(=C(C)C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MOYAFQVGZZPNRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Terpinolene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.453000000000002 | RDKit |
| 3.453 | RDKit | |
| 3.19 | chempirical lib | |
| Molar Refractivity | 45.98200000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 136.125200512 g/mol | RDKit |
| Boiling Point | 185 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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Quick conversion
MW = 136.24 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16.
