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Molecule
(±)-Α-Pinene
CAS: 2437-95-8 · C10H16
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2437-95-8
- Molecular Formula
- C10H16
- Molecular Mass
- 136.24 g/mol
Identifiers
CAS Registry Number
2437-95-8
SMILES
CC1=CCC2CC1C2(C)C
InChI Key
GRWFGVWFFZKLTI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
Names and Synonyms
- (±)-Α-Pinene Synonym
- Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl- Synonym
- 2-Pinene Synonym
- 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene Synonym
- α-Pinene Synonym
- PC 500 Synonym
- (±)-2-Pinene Synonym
- (±)-α-Pinene Synonym
- PC 500 (terpene) Synonym
- Acintene A Synonym
- NSC 7727 Synonym
- Sylvapine A Synonym
- alpha-Pinene Synonym
- Leavo 95 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 |
| 0.8592 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | C1=C(C)C2CC(C1)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GRWFGVWFFZKLTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -62.5 °C | CAS Common Chemistry |
| Name | (±)-α-Pinene | 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 | 2.9987000000000013 | RDKit |
| 2.9987 | RDKit | |
| Molar Refractivity | 43.75200000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 136.125200512 g/mol | RDKit |
| Boiling Point | 156 °C @ 2760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 136.24 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16.
