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Molecule
Benzyloxyethanol
CAS: 622-08-2 · C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 622-08-2
- Molecular Formula
- C9H12O2
- Molecular Mass
- 152.19 g/mol
Identifiers
CAS Registry Number
622-08-2
SMILES
OCCOCc1ccccc1
InChI Key
CUZKCNWZBXLAJX-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
Names and Synonyms
- Benzyloxyethanol Synonym
- Ethanol, 2-(phenylmethoxy)- Synonym
- Ethanol, 2-(benzyloxy)- Synonym
- 2-(Phenylmethoxy)ethanol Synonym
- Ethylene glycol monobenzyl ether Synonym
- Glycol monobenzyl ether Synonym
- 2-(Benzyloxy)ethanol Synonym
- 1-O-Benzylethanediol Synonym
- 2-Benzyloxyethyl alcohol Synonym
- Benzyl 2-hydroxyethyl ether Synonym
- NSC 8886 Synonym
- Ethylene glycol benzyl ether Synonym
- Benzyloxyethanol Synonym
- BzG Synonym
- 2-(Benzyloxy)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.19 g/mol | CAS Common Chemistry |
| 152.19299999999998 g/mol | RDKit | |
| 152.193 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0640 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCOCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CUZKCNWZBXLAJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-75 °C | CAS Common Chemistry |
| Name | Benzyloxyethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.1955 | RDKit |
| Molar Refractivity | 43.183800000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 152.083729624 g/mol | RDKit |
| Boiling Point | 256 °C @ 760 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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Quick conversion
MW = 152.19 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O2.
