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N-Butyl Glycidyl Ether
CAS: 2426-08-6 | C7H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2426-08-6
Molecular Formula:
C7H14O2
Molecular Weight:
130.18699999999998 g/mol
Names and Synonyms:
N-Butyl Glycidyl Ether
Synonym
Oxirane, 2-(butoxymethyl)-
Synonym
Propane, 1-butoxy-2,3-epoxy-
Synonym
Oxirane, (butoxymethyl)-
Synonym
2-(Butoxymethyl)oxirane
Synonym
Butyl glycidyl ether
Synonym
2,3-Epoxypropyl butyl ether
Synonym
Glycidyl butyl ether
Synonym
1-Butoxy-2,3-epoxypropane
Synonym
3-Butoxy-1,2-epoxypropane
Synonym
ERL 0810
Synonym
n-Butyl glycidyl ether
Synonym
(Butoxymethyl)oxirane
Synonym
Glycidyl n-butyl ether
Synonym
Epi-Rez 501
Synonym
1-Butyl glycidyl ether
Synonym
Butyl 2,3-epoxypropyl ether
Synonym
BGE
Synonym
(±)-Butyl glycidyl ether
Synonym
DY-BP
Synonym
BGE-R
Synonym
Epodil 741
Synonym
BGE-C
Synonym
NSC 83413
Synonym
DY-BP (epoxide)
Synonym
N 10 (ether)
Synonym
N 10
Synonym
Epodil 741HP
Synonym
Epiol B 4
Synonym
660A
Synonym
Epogosey BA
Synonym
Laproxid 201B
Synonym
Epoxide 660
Synonym
SM 660A
Synonym
XY 501
Synonym
O-Butylglycidol
Synonym
NPEK 041
Synonym
XY 501P
Synonym
BGE 501
Synonym
Erisys GE 5
Synonym
501B
Synonym
Diluent 501
Synonym
Diluent 660
Synonym
Y 501
Synonym
Y 501 (epoxide)
Synonym
DGE 501
Synonym
Xinyuan 501A
Synonym
501A
Synonym
3-Butoxy-1,2-propylene oxide
Synonym
Epothin 1014
Synonym
Heloxy 61
Synonym
Identifiers:
SMILES:
CCCCOCC1CO1
InChI:
InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 130.19 g/mol | Legacy Database |
| density | 0.91 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Butyl_glycidyl_ether None | Legacy Database |
| cas-boiling-point | 164 °C None | Legacy Database |
| cas-canonical-smile | O(CCCC)CC1OC1 None | Legacy Database |
| cas-density | 0.908 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YSUQLAYJZDEMOT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 59 °C None | Legacy Database |
| cas-name | Butyl glycidyl ether None | Legacy Database |
| wikipedia-name | n-Butyl glycidyl ether None | Legacy Database |
| LogP | 1.2019 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.18699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.099379688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.467 | RDKit |