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2-Hydroxy-5-octanoylbenzoic Acid

CAT: 0572-TRC-H951198-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H951198-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78418-01-6
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCCCCCCC(=O)c1ccc(O)c(c1)C(=O)O
Molecular Formula
C15H20O4
Molecular Weight
264.32
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

n-Octanoyl-5-salicylic acid

The CIR Expert Panel concluded that the available data are insufficient to make a determination that Capryloyl Salicylic Acid is safe under the intended conditions of use in cosmetic formulations.

CAS Number78418-01-6
PubChem CID9838158
IUPAC Name2-hydroxy-5-octanoylbenzoic acid
Molecular FormulaC15H20O4
Molecular Weight264.32
XLogP5.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity301
SMILES
CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O
InChI
InChI=1S/C15H20O4/c1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h8-10,17H,2-7H2,1H3,(H,18,19)
InChIKey
IXIGWKNBFPKCCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of n-Octanoyl-5-salicylic acid
CAS: 78418-01-6
CID: 9838158
Formula: C15H20O4
MW: 264.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.32
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass264.13615911
Monoisotopic Mass264.13615911
Topological Polar Surface Area74.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity301
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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