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Oxt 101
CAS: 3047-32-3 | C6H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3047-32-3
Molecular Formula:
C6H12O2
Molecular Weight:
116.15999999999998 g/mol
Names and Synonyms:
Oxt 101
3-Oxetanemethanol, 3-ethyl-
3-Ethyl-3-oxetanemethanol
3-Ethyl-3-(hydroxymethyl)oxacyclobutane
3-Hydroxymethyl-3-ethyloxetane
3-Ethyl-3-(hydroxymethyl)oxetane
3-Ethyl-3-methyloloxetane
EOXA
Cyracure UVR 6000
Aron Oxetane OXT 101
OXA
OXA (oxetane)
OXT 101
UVR 6000
Eternacoll EHO
(3-Ethyloxetan-3-yl)methanol
Aron Oxetane OXA
EHO
Trimethylolpropane oxetane
3-Ethyl-3-oxetanylmethyl alcohol
Syna OXA-S 101
S 101
Synasia S 101
TCM 101
3-Ethyl-3-hydroxymethyloxethane
Uvicure S 130
Doublemer 401
Identifiers:
SMILES:
CCC1(CO)COC1
InChI:
InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
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 |
|---|---|---|---|
| Molecular | Molecular Weight | 116.15999999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 116.083729624 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 29.46 Ų | RDKit |
| Physical Properties | LogP | 0.40530000000000005 | RDKit |
| molecular_mass | 116.16 g/mol | Legacy Database | |
| cas-boiling-point | 84 °C @ Press: 2.8 Torr | Legacy Database | |
| cas-canonical-smile | OCC1(COC1)CC | Legacy Database | |
| cas-inchi | InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=UNMJLQGKEDTEKJ-UHFFFAOYSA-N | Legacy Database | |
| cas-name | OXT 101 | Legacy Database | |
| Molar | Molar Refractivity | 30.628799999999984 | RDKit |
