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Isopropyl decanoate

CAT: 0804-HY-W127422Size: 1 EachDry Ice: NoHazardous: No
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Description
Isopropyl decanoateIt is an organic compound belonging to esters. It is formed from the reaction of isopropyl alcohol and capric acid and has a mild fruity smell. Isopropyl decanoateIt 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 is used as a solvent and lubricant in industrial settings.
CAS Number
2311-59-3
Product Name Alternative
N-Capric acid isopropyl ester
UNSPSC
12352200
Hazard Statement
H227-H315
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/isopropyl-decanoate.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCC(=O)OC(C)C
Molecular Formula
C13H26O2
Molecular Weight
214.34
Precautions
P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Isopropyl caprate

Isopropyl dodecanoic acid is a fatty acid ester.

CAS Number2311-59-3
PubChem CID16833
IUPAC Namepropan-2-yl decanoate
Molecular FormulaC13H26O2
Molecular Weight214.34
XLogP5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity153
SMILES
CCCCCCCCCC(=O)OC(C)C
InChI
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-13(14)15-12(2)3/h12H,4-11H2,1-3H3
InChIKey
PKPPDYGHKDIKBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl caprate
CAS: 2311-59-3
CID: 16833
Formula: C13H26O2
MW: 214.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.34
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass214.193280068
Monoisotopic Mass214.193280068
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity153
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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