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112-80-1

112-80-1 structural image
Product Name: Oleic acid
Formula: C18H34O2
Synonyms: Oleic acid;OlAc;cis-9-Octadecenoic acid;cis-9-Octadecenoic Acid, 18:1;Elainic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Oleic acid is a colorless to pale yellow liquid with a mild odor. Floats on water. (USCG, 1999)
Color/Form Colorless or nearly colorless liq (above 5-7 °C)
Odor PECULIAR LARD-LIKE ODOR
Taste PECULIAR LARD-LIKE TASTE
Boiling Point 547 °F at 100 mmHg (NTP, 1992)
Melting Point 61.3 °F (NTP, 1992)
Flash Point 372 °F (NTP, 1992)
Solubility Insoluble (NTP, 1992)
Density 0.89 at 77 °F (USCG, 1999) - Less dense than water; will float
Vapor Pressure 0.00000055 [mmHg]
LogP log Kow = 7.64
Stability/Shelf Life ON EXPOSURE TO AIR, ESPECIALLY WHEN IMPURE, IT OXIDIZES & ACQUIRES YELLOW TO BROWN COLOR & RANCID ODOR
Autoignition Temperature 685 °F (USCG, 1999)
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Viscosity 25.6 cP at 30 °C
Heat of Combustion At constant volume; delta Ec = -2.663.9 kcal/mol at 25 °C
Heat of Vaporization 16.1 kcal/mol at boiling
Surface Tension 32.8 dyne/cm at 20 °C; 27.94 dyne/cm at 90 °C; 21.6 dyne/cm at 180 °C
Refractive Index Index of refraction: 1.463 at 18 °C/D; 1.4585 at 26 °C/D
Dissociation Constants pKa = 5.02 in aqueous solution at 25 °C
Collision Cross Section 176.43 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
Kovats Retention Index 2113 2171 2116 2152 2175 2090 2098 2180 2180 2091.3
Other Experimental Properties Iodine number: 89.9; acid value: 198.6; solidification at 4 °C to crystalline mass. On exposure to air, especially when impure, it oxidizes and acquires a yellow to brown color and rancid odor.
Chemical Classes Lipids -> Unambiguous Lipids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H320:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P321:Specific treatment (see … on this label).
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 282.5 g/mol
XLogP3 6.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 15
Exact Mass 282.255880323 g/mol
Monoisotopic Mass 282.255880323 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 234
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Oleic acid is a colorless to pale yellow liquid with a mild odor. Floats on water. (USCG, 1999)

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