Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: 1-Methoxy-2-propyl acetate
CAS No.: 108-65-6
Molecular formula: C6H12O3
Molecular weight: 132.16 g/mol
SMILES: CC(COC)OC(=O)C
Structural class:
Other identifiers:

methoxypropyl acetate

PGMEA cpd

propylene glycol methyl ether acetate

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 250mg GC≥99% 320 2-8℃ in stock -
Kehua Intelligence 100ml 99% 96 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure


4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-methoxypropan-2-yl acetate


4.2 InChI

InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3


4.3 InChIKey

LLHKCFNBLRBOGN-UHFFFAOYSA-N


4.4 Canonical SMILES

CC(COC)OC(=O)C


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon