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Butyl Isobutyrate

CAT: 0931-T203956-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T203956-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97-87-0
Target
Others
Related Pathways
Others
Bioactivity
Butyl Isobutyrate is an ester compound widely used in biochemical experiments and drug synthesis research.
Smiles
O=C(OCCCC)C(C)C
Molecular Formula
C8H16O2
Molecular Weight
144.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Butyl isobutyrate

Butylisobutyrate is a carboxylic ester.

CAS Number97-87-0
PubChem CID7353
IUPAC Namebutyl 2-methylpropanoate
Molecular FormulaC8H16O2
Molecular Weight144.21
XLogP2.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
CCCCOC(=O)C(C)C
InChI
InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey
JSLCOZYBKYHZNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl isobutyrate
CAS: 97-87-0
CID: 7353
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass144.115029749
Monoisotopic Mass144.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.4
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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Alternative Products

CatalogName
sc-337614Butyl isobutyrate
OR1039917-01Tert-butyl isobutyrate
B29435-01Butyl isobutyrate 97%
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