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Cellosolve Acetate 99% For Synthesis

CAT: 1507-00711 00500Size: 500 mLDry Ice: NoHazardous: No
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CAT#:1507-00711 00500Size:500 mL
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CAS Number
111-15-9

Chemical Information

Glycol monoethyl ether acetate

Ethylene Glycol Monoethyl Ether Acetate can cause developmental toxicity and male reproductive toxicity according to The National Institute for Occupational Safety and Health (NIOSH).

CAS Number111-15-9
PubChem CID8095
IUPAC Name2-ethoxyethyl acetate
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CCOCCOC(=O)C
InChI
InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
InChIKey
SVONRAPFKPVNKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycol monoethyl ether acetate
CAS: 111-15-9
CID: 8095
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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