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Basic Information
CAS No.: 112-86-7
Name: Erucic acid
Article Data: 24
Molecular Structure:
Molecular Structure of 112-86-7 (Erucic acid)
Formula: C22H42O2
Molecular Weight: 338.574
Synonyms: 13-Docosenoicacid, (13Z)-;13-Docosenoicacid, (Z)- (8CI);(13Z)-Docosenoic acid;(Z)-13-Docosenoic acid;13(Z)-Docosenoic acid;13-cis-Docosenoic acid;Hystrene 2290;Nouracid RE 07;cis-13-Docosenoic acid;cis-13-Erucic acid;D13-cis-Docosenoicacid;
EINECS: 204-011-3
Density: 0.891 g/cm3
Melting Point: 28-32 °C(lit.)
Boiling Point: 386.1 °C at 760 mmHg
Flash Point: 349.9 °C
Appearance: White Waxy Solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 37.30000
LogP: 7.66890
Related products
Synthetic route
1120-34-9

methyl cis-13-docosenoate

112-86-7

cis-13-docosenoic acid

Conditions
ConditionsYield
With lithium hydroxide monohydrate In tetrahydrofuran; water at 20℃;86%
110-86-1

pyridine

64-17-5

ethanol

871893-44-6

docos-13-enoic acid-anhydride

A

112-86-7

cis-13-docosenoic acid

B

37910-77-3

ethyl (13Z)-13-docosenoate

Conditions
ConditionsYield
erucic acid anhydride;
...Expand

eicos-11c-enyl-malonic acid

112-86-7

cis-13-docosenoic acid

Conditions
ConditionsYield
at 175℃;
64-17-5

ethanol

871893-44-6

docos-13-enoic acid-anhydride

A

112-86-7

cis-13-docosenoic acid

B

37910-77-3

ethyl (13Z)-13-docosenoate

Conditions
ConditionsYield
erucic acid anhydride;
...Expand
112-80-1

cis-Octadecenoic acid

627-91-8

adipic acid monomethyl ester

112-86-7

cis-13-docosenoic acid

Conditions
ConditionsYield
With methanol; sodium methylate Electrolysis.Hydrolyse des gebildeten Erucasaeure-methylesters durch Erwaermen mit wss.-methanol.Natronlauge;
506-35-4

behenolic acid

112-86-7

cis-13-docosenoic acid

Conditions
ConditionsYield
With nickel Hydrogenation;
With quinoline; ethyl acetate Hydrogenation.Lindlar-Katalysator;
13980-16-0

13-hydroxy-docosanoic acid

112-86-7

cis-13-docosenoic acid

Conditions
ConditionsYield
at 220℃; under 7 Torr;
871893-44-6

docos-13-enoic acid-anhydride

7732-18-5

water

112-86-7

cis-13-docosenoic acid

Conditions
ConditionsYield
erucic acid anhydride;
56-23-5

tetrachloromethane

13,14-diiodo-docosanoic acid

7553-56-2

iodine

112-86-7

cis-13-docosenoic acid

Conditions
ConditionsYield
Kinetics;
...Expand
bromoerucic acid

bromoerucic acid

112-86-7

cis-13-docosenoic acid

Conditions
ConditionsYield
With ethanol; sodium
Raw Materials
55182-81-5
13980-16-0
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627-91-8
7732-18-5
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    Product Name: Erucic Acid e CAS: 112-86-7 MF: C22H42O2 MW: 338.57 EINECS: 204-011-3 Mol File: 112-86-7.mol Erucic Acid Structure Erucic Acid Chemical Properties Melting point 28-32 °C (lit.) Boiling point 358 °C/400

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Chemistry

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

Uses

 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.

Safety Profile

Hazard Codes: IrritantXi
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)

Specification

 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 .