Oleic acid - CAS 112-80-1

Catalog:	BB003048
Product Name:	Oleic acid
CAS:	112-80-1
Synonyms:	cis-9-Octadecenoic acid; cis-Oleic acid; (9Z)-9-Octadecenoic Acid; Acidum oleicum; Crodolene; Crossential 094; elaic acid; Emersol; Glycon; Industrene; Metaupon; 9,10-octadecenoic acid; oleinic acid; Priolene
Application:	Ingredient of health care products.

Technical Data

IUPAC Name:	(Z)-octadec-9-enoic acid
Description:	Oleic acid is a monounsaturated omega-9 fatty acid obtained from multiple animal and vegetable fats and oils. It is a major component of membrane phospholipids. It is used as an emulsifying agent in foods and pharmaceuticals. Nutritional supplement in health care products.
Molecular Weight:	282.46
Molecular Formula:	C18H34O2
Canonical SMILES:	CCCCCCCCC=CCCCCCCCC(=O)O
InChI:	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-
InChI Key:	ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Boiling Point:	360.0±0.0°C at 760 mmHg
Melting Point:	13-14°C
Flash Point:	189°C
Purity:	98%
Density:	0.89 g/mL at 25°C
Solubility:	Soluble in Chloroform (Sparingly), Methanol (Slightly)
Appearance:	Clear Colorless Oily Matter
Storage:	Store at 2-8°C
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00064242
LogP:	6.10850
Refractive Index:	1.4585-1.4605
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, aluminium.
Vapor Pressure:	52 mm Hg ( 37 °C)

GHS Hazard Statement:	H315 (95.12%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
33352258	20210301	In vitro screening for chemical inhibition of the iodide recycling enzyme, iodotyrosine deiodinase	Toxicology in vitro : an international journal published in association with BIBRA
33508418	20210301	Effects of dibutyl phthalate on lipid metabolism in liver and hepatocytes based on PPARα/SREBP-1c/FAS/GPAT/AMPK signal pathway	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
32918399	20210201	Sorafenib reduces steatosis-induced fibrogenesis in a human 3D co-culture model of non-alcoholic fatty liver disease	Environmental toxicology
32976958	20201201	Study on the attenuated effect of Ginkgolide B on ferroptosis in high fat diet induced nonalcoholic fatty liver disease	Toxicology
32738331	20201001	A novel bile acid analog, A17, ameliorated non-alcoholic steatohepatitis in high-fat diet-fed hamsters	Toxicology and applied pharmacology

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	282.255880323
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	282.255880323
Rotatable Bond Count:	15
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.5