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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 Weight:
152.19299999999998 g/mol
Names and Synonyms:
Benzyloxyethanol
Ethanol, 2-(phenylmethoxy)-
Ethanol, 2-(benzyloxy)-
2-(Phenylmethoxy)ethanol
Ethylene glycol monobenzyl ether
Glycol monobenzyl ether
2-(Benzyloxy)ethanol
1-O-Benzylethanediol
2-Benzyloxyethyl alcohol
Benzyl 2-hydroxyethyl ether
NSC 8886
Ethylene glycol benzyl ether
Benzyloxyethanol
BzG
2-(Benzyloxy)ethan-1-ol
Identifiers:
SMILES:
OCCOCc1ccccc1
InChI:
InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
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 | 152.19 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database | |
| cas-boiling-point | 256 °C @ Press: 760 Torr | Legacy Database | |
| cas-canonical-smile | OCCOCC=1C=CC=CC1 | Legacy Database | |
| cas-density | 1.0640 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2 | Legacy Database | |
| cas-inchi-key | InChIKey=CUZKCNWZBXLAJX-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | <-75 °C | Legacy Database | |
| cas-name | Benzyloxyethanol | Legacy Database | |
| LogP | 1.1955 | RDKit | |
| Molecular | Molecular Weight | 152.19299999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.083729624 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 29.46 Ų | RDKit |
| Molar | Molar Refractivity | 43.183800000000026 | RDKit |
