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Molecule
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 Mass
- 132.16 g/mol
Identifiers
CAS Registry Number
108-65-6
SMILES
COCC(C)OC(C)=O
InChI Key
LLHKCFNBLRBOGN-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
Names and Synonyms
- Propylene Glycol Methyl Ether Acetate Common Name
- 2-Propanol, 1-methoxy-, 2-acetate Synonym
- 2-Propanol, 1-methoxy-, acetate Synonym
- 2-Acetoxy-1-methoxypropane Synonym
- 1-Methoxy-2-propyl acetate Synonym
- 1-Methoxy-2-acetoxypropane Synonym
- PGMEA Synonym
- 1-Methoxy-2-propanol acetate Synonym
- Propylene glycol 1-methyl ether 2-acetate Synonym
- NSC 2207 Synonym
- KR 20 Synonym
- 2-Methoxy-1-methylethyl acetate Synonym
- PMA Synonym
- SU 8 Developer Synonym
- Arcosolv PMA Synonym
- Dowanol PMA Synonym
- MMPGAC Synonym
- JTB 6343-05 Synonym
- 1-Methoxypropan-2-yl acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.159 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.96 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propylene_glycol_methyl_ether_acetate | CAS Common Chemistry |
| Boiling Point | 146 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)COC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LLHKCFNBLRBOGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Methoxy-2-propyl acetate | CAS Common Chemistry |
| Propylene glycol methyl ether acetate | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.5844 | RDKit |
| Molar Refractivity | 33.10399999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 132.078644244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 132.16 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O3.
