PeptideDB

Elaidic acid 112-79-8

Elaidic acid 112-79-8

CAS No.: 112-79-8

Elaidic acid is the primary trans fat found in hydrogenated vegetable oils and is used as a reactive molecular solvent.
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Elaidic acid is the primary trans fat found in hydrogenated vegetable oils and is used as a reactive molecular solvent.

Physicochemical Properties


Molecular Formula C18H34O2
Molecular Weight 282.46136
Exact Mass 282.255
CAS # 112-79-8
PubChem CID 637517
Appearance White to off-white solid powder
Density 0.9±0.1 g/cm3
Boiling Point 360.0±0.0 °C at 760 mmHg
Melting Point 42-44 ℃(lit.)
Flash Point 270.1±14.4 °C
Vapour Pressure 0.0±1.7 mmHg at 25°C
Index of Refraction 1.467
LogP 7.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 15
Heavy Atom Count 20
Complexity 234
Defined Atom Stereocenter Count 0
SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O

InChi Key ZQPPMHVWECSIRJ-MDZDMXLPSA-N
InChi Code

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
Chemical Name

(E)-octadec-9-enoic 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


Additional Infomation Elaidic acid is a 9-octadecenoic acid and the trans-isomer of oleic acid. It has a role as a food component. It is a conjugate acid of an elaidate and an Octadec-9-enoic acid anion. It derives from a hydride of a trans-octadec-9-ene.
Elaidic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Elaidic Acid has been reported in Punica granatum, Cynomorium songaricum, and other organisms with data available.
See also: Oleic Acid (subclass of).

Solubility Data


Solubility (In Vitro) DMSO : ~13.5 mg/mL (~47.79 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 1.35 mg/mL (4.78 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 13.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.5403 mL 17.7016 mL 35.4032 mL
5 mM 0.7081 mL 3.5403 mL 7.0806 mL
10 mM 0.3540 mL 1.7702 mL 3.5403 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.