1-Methoxy-2-propyl acetate

CAT: 1489-P7010-01Size: 100 mLDry Ice: NoHazardous: No

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CAT#:1489-P7010-01Size:100 mL

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CAS Number

108-65-6

Purity

0.99

Chemical Information

Propylene glycol methyl ether acetate

Propylene glycol methyl ether acetate is a colorless liquid with a sweet ether-like odor. (USCG, 1999)

CAS Number	108-65-6
PubChem CID	7946
IUPAC Name	1-methoxypropan-2-yl acetate
Molecular Formula	C6H12O3
Molecular Weight	132.16
XLogP	0.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

CC(COC)OC(=O)C

InChI

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

InChIKey

LLHKCFNBLRBOGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-65-6

CID: 7946

Formula: C6H12O3

MW: 132.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	132.078644241
Monoisotopic Mass	132.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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