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Butyl Phenyl Ether
CAS: 1126-79-0 | C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1126-79-0
Molecular Formula:
C10H14O
Molecular Weight:
150.22099999999998 g/mol
Names and Synonyms:
Butyl Phenyl Ether
Benzene, butoxy-
Ether, butyl phenyl
Butoxybenzene
Butyl phenyl ether
Phenyl butyl ether
Butyloxybenzene
n-Butyl phenyl ether
Phenyl n-butyl ether
1-Phenoxybutane
NSC 8467
Identifiers:
SMILES:
CCCCOc1ccccc1
InChI:
InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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 | 150.22 g/mol | Legacy Database |
| density | 1.01 g/cm³ | Legacy Database | |
| cas-boiling-point | 210 °C | Legacy Database | |
| cas-canonical-smile | O(C=1C=CC=CC1)CCCC | Legacy Database | |
| cas-density | 1.0057 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=YFNONBGXNFCTMM-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -19.4 °C | Legacy Database | |
| cas-name | Butyl phenyl ether | Legacy Database | |
| LogP | 2.8655000000000017 | RDKit | |
| Molecular | Molecular Weight | 150.22099999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.104465068 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 9.23 Ų | RDKit |
| Molar | Molar Refractivity | 46.845000000000034 | RDKit |
