Molecule structure of Erucic acid (CAS NO.112-86-7):


IUPAC Name: (Z)-Docos-13-enoic acid 
Molecular Weight: 338.56768 g/mol
Molecular Formula: C₂₂H₄₂O₂ 
Melting Point: 28-32 °C(lit.)
Density: 0.891 g/cm3 
Boiling Point: 386.1 °C at 760 mmHg 
Flash Point: 349.9 °C
Index of Refraction: 1.467
Molar Refractivity: 105.59 cm³
Molar Volume: 379.9 cm³
Polarizability: 41.86×10^-24 cm³
Surface Tension: 33.8 dyne/cm 
Enthalpy of Vaporization: 69.72 kJ/mol
Vapour Pressure: 4.91E-07 mmHg at 25 °C 
Storage Temp.: 2-8 °C
XLogP3: 8.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 19
Exact Mass: 338.318481
MonoIsotopic Mass: 338.318481
Topological Polar Surface Area: 37.3
Heavy Atom Count: 24
Complexity: 284
Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)O
Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
InChI: InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-
21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
InChIKey: DPUOLQHDNGRHBS-KTKRTIGZSA-N
EINECS: 204-011-3
Product Categories: Intermediates; Biochemistry; Higher Fatty Acids & Higher Alcohols; Unsaturated Higher Fatty Acids

 Erucic Acid(112-86-7) can be used as an ingredient in appetite depressants. It is also can be used for the preparation of lubricants, surfactants and plastics additives.

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 1
RTECS: JR1280000
F: 10-23
Hazardous Substances Data: 112-86-7(Hazardous Substances Data)

 Erucic acid (CAS NO.112-86-7) is also named as 13-cis-Docosenoic acid ; AI3-18180 ; HSDB 5015 ; Hystrene 2290 ; NSC 6814 ; Z-13-Docosenoic acid ; cis-13-Docosenoic acid ; delta13-cis-Docosenoic acid ; delta13:14-Docosenoic acid .