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Isoamyl laurate

CAT: 0804-HY-W127542Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W127542Size:1 Each
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Description
Isoamyl laurate is an organic compound commonly used as a fragrance and fluorescent dye. It can be used to prepare flavors and food seasonings with various flavors, and is widely used in cosmetics, detergents and softeners. In addition, this compound is also used as a substrate or intermediate in some biochemical reactions.
CAS Number
6309-51-9
Product Name Alternative
Lauric acid, isopentyl ester
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/isoamyl-laurate.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCC(=O)OCCC(C)C
Molecular Formula
C17H34O2
Molecular Weight
270.45
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Isoamyl Laurate

3-methylbutyl dodecanoate is a fatty acid ester obtained by the formal condensation of dodecanoic acid with 3-methylbutan-1-ol. It has a role as a metabolite. It is functionally related to an isoamylol.

CAS Number6309-51-9
PubChem CID61386
IUPAC Name3-methylbutyl dodecanoate
Molecular FormulaC17H34O2
Molecular Weight270.5
XLogP7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity199
SMILES
CCCCCCCCCCCC(=O)OCCC(C)C
InChI
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
InChIKey
FVKRIDSRWFEQME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoamyl Laurate
CAS: 6309-51-9
CID: 61386
Formula: C17H34O2
MW: 270.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.5
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass270.255880323
Monoisotopic Mass270.255880323
Topological Polar Surface Area26.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity199
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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