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8016-21-5

Product Name: COGNAC OIL
Synonyms: Vitis vinifera;Grape seed oil
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Linoleic acid is a colorless to straw colored liquid. A polyunsaturated fatty acid essential to human diet.
Color/Form Colorless oil
Boiling Point 444 to 446 °F at 16 mmHg (NTP, 1992)
Melting Point 23 °F (NTP, 1992)
Solubility Insoluble (NTP, 1992)
Density 0.9007 at 72 °F (NTP, 1992) - Less dense than water; will float
Vapor Pressure 0.00000087 [mmHg]
LogP log Kow = 7.05
Stability/Shelf Life Easily oxidized by air.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Heat of Combustion -1.03X10+10 J/kmol
Refractive Index Index of refraction: 1.4715 at 11.5 °C/D, 1.4699 at 20 °C/D, 1.4683 at 21.5 °C/D, 1.4588 at 50 °C/D
Dissociation Constants pKa = 4.77 at 25 °C
Collision Cross Section 175.61 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
Kovats Retention Index 2095 2095 2156 2113 2113 2106 2112 2109 2130 2125 2111 2130 2107 2115 2107 2105 2125 2125
Other Experimental Properties Iodine value: 181.1; thiocyanogen value: 96.7
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
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.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 280.4 g/mol
XLogP3 6.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 14
Exact Mass 280.240230259 g/mol
Monoisotopic Mass 280.240230259 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 267
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Linoleic acid is a colorless to straw colored liquid. A polyunsaturated fatty acid essential to human diet.