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Molecule
1-Phenyl-1-Propanol
CAS: 93-54-9 · C9H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 93-54-9
- Molecular Formula
- C9H12O
- Molecular Mass
- 136.19 g/mol
Identifiers
CAS Registry Number
93-54-9
SMILES
CCC(O)c1ccccc1
InChI Key
DYUQAZSOFZSPHD-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
Names and Synonyms
- 1-Phenyl-1-Propanol Synonym
- Benzenemethanol, α-ethyl- Synonym
- Benzyl alcohol, α-ethyl- Synonym
- α-Ethylbenzenemethanol Synonym
- α-Ethylbenzyl alcohol Synonym
- Felicur Synonym
- Phenylchol Synonym
- 1-Phenylpropyl alcohol Synonym
- Unichol Synonym
- 1-Propanol, 1-phenyl- Synonym
- 1-Phenyl-1-hydroxypropane Synonym
- 1-Phenyl-1-propanol Synonym
- Phenyl ethyl carbinol Synonym
- ω-Ethylbenzyl alcohol Synonym
- SH 261 Synonym
- Ethyl phenyl carbinol Synonym
- α-Hydroxypropylbenzene Synonym
- Ejibil Synonym
- Livonal Synonym
- Phenylcholon Synonym
- Fenicol Synonym
- Felitrope Synonym
- Bilergon Synonym
- Carbicol Synonym
- Choleda Synonym
- Fepar Synonym
- Gallenperlen Synonym
- Epatoxfen Synonym
- 1-Phenyl-n-propanol Synonym
- (RS)-1-Phenylpropan-1-ol Synonym
- (±)-1-Phenyl-1-propanol Synonym
- (±)-α-Ethylbenzyl alcohol Synonym
- (RS)-1-Phenylpropanol Synonym
- 1-Hydroxy-1-phenylpropane Synonym
- Phenycholon Synonym
- Phenychol Synonym
- NSC 25504 Synonym
- NSC 41708 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.19 g/mol | CAS Common Chemistry |
| 136.194 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9938 g/cm3 @ 23 °C | CAS Common Chemistry | |
| Boiling Point | 219 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C=1C=CC=CC1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DYUQAZSOFZSPHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Phenyl-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.13 | RDKit |
| 2.15 | chempirical lib | |
| Molar Refractivity | 41.69280000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 136.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
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 = 136.19 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O.
