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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
Oxirane, 2-(butoxymethyl)-
Propane, 1-butoxy-2,3-epoxy-
Oxirane, (butoxymethyl)-
2-(Butoxymethyl)oxirane
Butyl glycidyl ether
2,3-Epoxypropyl butyl ether
Glycidyl butyl ether
1-Butoxy-2,3-epoxypropane
3-Butoxy-1,2-epoxypropane
ERL 0810
n-Butyl glycidyl ether
(Butoxymethyl)oxirane
Glycidyl n-butyl ether
Epi-Rez 501
1-Butyl glycidyl ether
Butyl 2,3-epoxypropyl ether
BGE
(±)-Butyl glycidyl ether
DY-BP
BGE-R
Epodil 741
BGE-C
NSC 83413
DY-BP (epoxide)
N 10 (ether)
N 10
Epodil 741HP
Epiol B 4
660A
Epogosey BA
Laproxid 201B
Epoxide 660
SM 660A
XY 501
O-Butylglycidol
NPEK 041
XY 501P
BGE 501
Erisys GE 5
501B
Diluent 501
Diluent 660
Y 501
Y 501 (epoxide)
DGE 501
Xinyuan 501A
501A
3-Butoxy-1,2-propylene oxide
Epothin 1014
Heloxy 61
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.2019 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.467 | RDKit |
