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Home> Hot Product Listed G   > Grape Seed Oil

Grape Seed Oil

CAS No.:8024-22-4
Molecular Formula: C18H32O2 (Products with the same molecular formula)
Names and Identifiers
Synonyms

Grape Seed Oil-

Inchi
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
Canonical Smiles
CCCCCC=CCC=CCCCCCCCC(=O)O
Isomers Smiles
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
Properties
Melting Point
-8.5 deg C
Boiling Point
230 deg C at 16 mm Hg; 202 deg C at 1.4 mm Hg
Solubilities
Freely sol in ether; sol in absolute alcohol; 1 ml dissolves in 10 ml petroleum ether; miscible with dimethylformamide, fat solvents, oils
Very soluble in acetone, benzene, ethyl ether, and ethanol.
In acetone: 4.10 g/100 g acetone at -50 deg C, 1.20 g/100 g acetone at -60 deg C, 0.35 g/100 g acetone at -70 deg C; in n-heptane: 0.98 g/100 g n-heptane at -50 deg C, 0.20 g/100 g n-heptane at -60 deg C, 0.042 g/100 g n-heptane at -70 deg C.
In water, 0.139 mg/L at 25 deg C (est)
Color/Form
Colorless oil
Colorless to straw-colored liquid
Spectral properties
Index of refraction: 1.4715 at 11.5 deg C/D, 1.4699 at 20 deg C/D, 1.4683 at 21.5 deg C/D, 1.4588 at 50 deg C/D
Index of refraction: 1.4710 at 15 deg C
MAX ABSORPTION (ALCOHOL): 232 NM (LOG E= 3.8), 275 NM (LOG E= 2.9); SADTLER REF NUMBER: 914 (IR, PRISM)
IR: 15092 (Sadtler Research Laboratories IR Grating Collection)
1H NMR: 8215 (Sadtler Research Laboratories Spectral Collection)
MASS: 107179 (NIST/EPA/MSDC Mass Spectral database, 1990 verson); 2211 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Safety and Handling
Skin, Eye, and Respiratory Irritations
Mild local irritant. Ingestion can cause nausea and vomiting.
Fire Potential
Combustible
SPONTANEOUS COMBUSTION OF RAGS SOAKED WITH LINSEED OIL & LINOLEIC ACID SALTS PRESENTS FIRE HAZARD.
Formulations/Preparations
Grade: Technical, purified (99+%), edible.
Exposure Standards and Regulations
Linoleic acid used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Protective Equipment and Clothing
Mild local irritant. Ingestion can cause nausea and vomiting.
Octanol/Water Partition Coefficient
log Kow = 7.05
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
1. Liquid acid may be injected at base of incinerator or after mixing with a flammable solvent. Afterburner is suggested for complete combustion.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 8024-22-4 EC: Grape Seed Oil ·ECHA C&L Inventory for CAS: CAS: 8024-22-4 EC: Grape Seed Oil
Computational chemical data

Molecular Weight:280.44548 [g/mol]
Molecular Formula:C18H32O2
XLogP3:6.8
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:14
Exact Mass:280.24023
MonoIsotopic Mass:280.24023
Topological Polar Surface Area:37.3
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
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:14
Conformer Sampling RMSD:1.4
CID Conformer Count:93