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Amyl-2-Methylbutyrate

CAT: 0931-T84048-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T84048-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68039-26-9
Target
Others
Related Pathways
Others
Purity
0.9981
Bioactivity
Amyl-2-Methylbutyrate (Pentyl 2-methylbutanoate) shows nematicidal activity against pine wood nematodes and can be used to study nematicides.
Smiles
O=C(OCCCCC)C(C)CC
Molecular Formula
C10H20O2
Molecular Weight
172.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pentyl 2-methylbutyrate

Butanoic acid, 2-methyl-, pentyl ester has been reported in Capsicum annuum and Chrysanthemum morifolium with data available.

CAS Number68039-26-9
PubChem CID107059
IUPAC Namepentyl 2-methylbutanoate
Molecular FormulaC10H20O2
Molecular Weight172.26
XLogP3.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity121
SMILES
CCCCCOC(=O)C(C)CC
InChI
InChI=1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3
InChIKey
RHNBXPIJLXBHMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentyl 2-methylbutyrate
CAS: 68039-26-9
CID: 107059
Formula: C10H20O2
MW: 172.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.26
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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