Acetyl Propionate

CAT: 0572-TRC-A167668-250MGSize: 250 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-A167668-250MGSize:250 mg

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CAS Number

13080-96-1

Synonyms

Propanoic acid, anhydride with acetic acid; Propionic acid, anhydride with AcOH (6CI,7CI); Propionic acid, anhydride with acetic acid (8CI); Acetic acid, anhydride with propionic acid (8CI); Acetic propionic anhydride; Acetyl propionate

Hazard Statement

Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II

Smiles

CCC(=O)OC(=O)C

Molecular Formula

C5 H8 O3

Molecular Weight

116.1152

InChI

InChI=1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3

Additionnal Information

IUPAC name: acetyl propanoate

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Acetic propanoic anhydride

CAS Number	13080-96-1
PubChem CID	12956798
IUPAC Name	acetyl propanoate
Molecular Formula	C5H8O3
Molecular Weight	116.11
XLogP	0.4
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	106

SMILES

CCC(=O)OC(=O)C

InChI

InChI=1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3

InChIKey

KLUDQUOLAFVLOL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13080-96-1

CID: 12956798

Formula: C5H8O3

MW: 116.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	116.11
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	116.047344113
Monoisotopic Mass	116.047344113
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Acetyl Propionate

Chemical Information

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