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Isostearic acid

CAT: 0013-GTR19243838-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243838-02Size:5 mg
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Description
Isostearic acid is a unique fatty acid. Isostearic acid is useful in pharmaceutical, personal care, and cosmetic products.
CAS Number
2724-58-5
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (351.52 mM; Ultrasonic)
Smiles
O=C (O) CCCCCCCCCCCCCCC (C) C
Molecular Formula
C18H36O2
Molecular Weight
284.48
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

16-Methylheptadecanoic Acid

16-methylheptadecanoic acid is a methyl-branched fatty acid that is heptadecanoic acid (margaric acid) substituted by a methyl group at position 16. It is a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is functionally related to a heptadecanoic acid.

CAS Number2724-58-5
PubChem CID21859
IUPAC Name16-methylheptadecanoic acid
Molecular FormulaC18H36O2
Molecular Weight284.5
XLogP7.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity211
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey
XDOFQFKRPWOURC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16-Methylheptadecanoic Acid
CAS: 2724-58-5
CID: 21859
Formula: C18H36O2
MW: 284.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.5
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass284.271530387
Monoisotopic Mass284.271530387
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity211
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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