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Isobutyl Palmitate

CAT: 0804-HY-W127337Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W127337Size:5 g
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Description
Isobutyl PalmitateIt is an organic compound belonging to esters. It is formed from the reaction between isobutanol and palmitic acid and has a mild fruity aroma. Isobutyl PalmitateIt has a variety of applications in the cosmetic and personal care industries, especially as an emollient and conditioning agent in skin and hair care products. Additionally, it has potential applications as lubricants and solvents in industrial settings.
CAS Number
110-34-9
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/isobutyl-palmitate.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCC(=O)OCC(C)C
Molecular Formula
C20H40O2
Molecular Weight
312.53
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

Isobutyl Palmitate

The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.

CAS Number110-34-9
PubChem CID66967
IUPAC Name2-methylpropyl hexadecanoate
Molecular FormulaC20H40O2
Molecular Weight312.5
XLogP8.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count22
Formal Charge0
Complexity236
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(C)C
InChI
InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3
InChIKey
OJIBJRXMHVZPLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyl Palmitate
CAS: 110-34-9
CID: 66967
Formula: C20H40O2
MW: 312.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.5
XLogP38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass312.302830514
Monoisotopic Mass312.302830514
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity236
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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