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Propylene Glycol Methyl Ether Acetate
CAS: 108-65-6 | C6H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-65-6
Molecular Formula:
C6H12O3
Molecular Weight:
132.159 g/mol
Names and Synonyms:
Propylene Glycol Methyl Ether Acetate
1-Methoxypropan-2-yl acetate
JTB 6343-05
MMPGAC
Dowanol PMA
Arcosolv PMA
SU 8 Developer
PMA
2-Methoxy-1-methylethyl acetate
KR 20
NSC 2207
Propylene glycol 1-methyl ether 2-acetate
1-Methoxy-2-propanol acetate
PGMEA
1-Methoxy-2-acetoxypropane
1-Methoxy-2-propyl acetate
2-Acetoxy-1-methoxypropane
2-Propanol, 1-methoxy-, acetate
2-Propanol, 1-methoxy-, 2-acetate
Identifiers:
SMILES:
COCC(C)OC(C)=O
InChI:
InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
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 | 132.16 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Propylene_glycol_methyl_ether_acetate None | Legacy Database |
| cas-boiling-point | 146 °C None | Legacy Database |
| cas-canonical-smile | O=C(OC(C)COC)C None | Legacy Database |
| cas-density | 0.96 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LLHKCFNBLRBOGN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Methoxy-2-propyl acetate None | Legacy Database |
| wikipedia-name | Propylene glycol methyl ether acetate None | Legacy Database |
| LogP | 0.5844 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.159 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.078644244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.10399999999999 | RDKit |
