Isostearic acid is a unique fatty acid. Isostearic acid may be used in pharmaceuticals, personal care and cosmetics.

Physicochemical Properties

Molecular Formula	C18H36O2
Molecular Weight	284.48
Exact Mass	284.271
CAS #	2724-58-5
PubChem CID	21859
Appearance	Colorless to light yellow liquid
Density	0.9±0.1 g/cm3
Boiling Point	400.8±13.0 °C at 760 mmHg
Melting Point	67.8-68.5°C (lit.)
Flash Point	225.6±8.2 °C
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.455
LogP	8.03
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	20
Complexity	212
Defined Atom Stereocenter Count	0
SMILES	OC(CCCCCCCCCCCCCCC(C)C)=O
InChi Key	XDOFQFKRPWOURC-UHFFFAOYSA-N
InChi Code	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)
Chemical Name	16-methylheptadecanoic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Life Cycle Environmental and Cost Implications of Isostearic Acid Production for Pharmaceutical and Personal Care Products.

Additional Infomation

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 branched-chain saturated fatty acid, a long-chain fatty acid and a methyl-branched fatty acid. It is functionally related to a heptadecanoic acid. 16-Methylheptadecanoic acid has been reported in Streptomyces, Aristolochia grandiflora, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~351.52 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 2.38 mg/mL (8.37 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 23.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.5152 mL	17.5759 mL	35.1519 mL
	5 mM	0.7030 mL	3.5152 mL	7.0304 mL
	10 mM	0.3515 mL	1.7576 mL	3.5152 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.