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Molecule
Perillyl Alcohol
CAS: 536-59-4 · C10H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 536-59-4
- Molecular Formula
- C10H16O
- Molecular Mass
- 152.24 g/mol
Identifiers
CAS Registry Number
536-59-4
SMILES
C=C(C)C1CC=C(CO)CC1
InChI Key
NDTYTMIUWGWIMO-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
Names and Synonyms
- Perillyl Alcohol Synonym
- 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)- Synonym
- p-Mentha-1,8-dien-7-ol Synonym
- 4-(1-Methylethenyl)-1-cyclohexene-1-methanol Synonym
- Perillic alcohol Synonym
- Perillyl alcohol Synonym
- Perilla alcohol Synonym
- Perillol Synonym
- dl-Perillyl alcohol Synonym
- NSC 641066 Synonym
- (±)-Perillyl alcohol Synonym
- 4-Isopropenyl-1-cyclohexene-methanol Synonym
- 4-Isopropenyl-1-cyclohexenylmethanol Synonym
- (4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol Synonym
- [4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol Synonym
- (4-Prop-1-en-2-ylcyclohexen-1-yl)methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.23699999999997 g/mol | RDKit | |
| 152.237 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9640 g/cm3 @ 29 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perillyl_alcohol | CAS Common Chemistry |
| Boiling Point | 244 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1=CCC(C(=C)C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NDTYTMIUWGWIMO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 271-272 °C | CAS Common Chemistry |
| Name | Perillyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.2813 | RDKit |
| Molar Refractivity | 47.32380000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 152.120115132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 152.24 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O.
