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Erucic Acid CAS#112-86-7

Erucic Acid CAS#112-86-7
Iupac Name:(Z)-docos-13-enoic acid
CAS No.: 112-86-7
Molecular Weight:338.576
Introduction:
Erucic Acid (C22H42O2) is a long-chain monounsaturated omega-9 fatty acid, chemically classified as a carboxylic acid derivative and a biochemical compound. At room temperature, it exists as a waxy solid with a white to off-white hue and exhibits a faint, characteristic fatty odor. The compound possesses a high melting point, typically above 30°C, which contributes to its solid state under ambient conditions.

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PRODUCT DESCRIPTION

PropertyValue
Density0.9±0.1 g/cm³
Boiling Point386.1±0.0 °C at 760 mmHg
Melting Point28-32 °C (lit.)
Molecular FormulaC₂₂H₄₂O₂
Molecular Weight338.568
Flash Point349.9±15.2 °C
Exact Mass338.318481
PSA37.30000
LogP9.82
Vapour Pressure0.0±1.8 mmHg at 25°C
Index of Refraction1.468
InChIKeyDPUOLQHDNGRHBS-KTKRTIGZSA-N
SMILESCCCCCCCCC=CCCCCCCCCCCCC(=O)O
Storage Condition2-8°C
Use and Manufacturing

1 DefinitionChEBI: A docosenoic acid having a cis- double bond at C-13. It is found particularly in brassicas - it is a major component of mustard and rapeseed oils and is produced by broccoli, Brussels sprouts, kale, and wallflowers.

2 GHS Classification

Signal: Warning

GHS Hazard Statements
Aggregated GHS information provided by 77 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Reported as not meeting GHS hazard criteria by 49 of 77 companies. For more detailed information, please visit ECHA C&L website 

Of the 4 notification(s) provided by 28 of 77 companies with hazard statement code(s):
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (96.43%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (89.29%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

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3 Methods of ManufacturingEXTRACTED FROM RAPESEED, CRAMBE, AND MUSTARD SEED OILS

4 Purification MethodsCrystallise erucic acid from MeOH. [Beilstein 2 IV 1676.] Erucic Acid Preparation Products And Raw materials Preparation Products

5 Usage13(Z)-Docosenoic acid is a 22-carbon monounsaturated fatty acid. It is found predominantly in canola oil. 13(Z)-Docosenoic acid is metabolized to oleic acid in vivo. Diets rich in 13(Z)-docosenoic acid were shown to cause heart lipidosis in experimental animals. The C-1 amide of docosenoic acid has been identified as one of the anandamide-related neurotransmitters associated with sleep.

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