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(-)-Α-Terpineol
CAS: 10482-56-1 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10482-56-1
Molecular Formula:
C10H18O
Molecular Weight:
154.25299999999996 g/mol
Names and Synonyms:
(-)-Α-Terpineol
2-[(1S)-4-Methylcyclohex-3-en-1-yl]propan-2-ol
α-Terpineol, (-)-
(-)-α-Terpineol
l-α-Terpineol
3-Cyclohexene-1-methanol, α,α,4-trimethyl-, (S)-
(S)-α,α,4-Trimethyl-3-cyclohexene-1-methanol
(S)-(-)-Terpineol
(S)-(-)-α-Terpineol
(S)-α-Terpineol
(1S)-α,α,4-Trimethyl-3-cyclohexene-1-methanol
p-Menth-1-en-8-ol, (S)-(-)-
3-Cyclohexene-1-methanol, α,α,4-trimethyl-, (1S)-
Identifiers:
SMILES:
CC1=CC[C@@H](C(C)(C)O)CC1
InChI:
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.25 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database | |
| cas-boiling-point | 80-81.5 °C @ Press: 5 Torr | Legacy Database | |
| cas-canonical-smile | OC(C)(C)C1CC=C(C)CC1 | Legacy Database | |
| cas-density | 0.935 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=WUOACPNHFRMFPN-SECBINFHSA-N | Legacy Database | |
| cas-melting-point | 33 °C | Legacy Database | |
| cas-name | (-)-α-Terpineol | Legacy Database | |
| LogP | 2.503700000000001 | RDKit | |
| Molecular | Molecular Weight | 154.25299999999996 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.135765196 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Molar | Molar Refractivity | 47.39580000000002 | RDKit |
