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| CAS No.: | 112-86-7 |
|---|---|
| Name: | Erucic acid |
| Molecular Structure: | |
|
|
|
| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 7.66890 |
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| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| erucic acid anhydride; |
- 112-86-7
cis-13-docosenoic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| erucic acid anhydride; |
| Conditions | Yield |
|---|---|
| With methanol; sodium methylate Electrolysis.Hydrolyse des gebildeten Erucasaeure-methylesters durch Erwaermen mit wss.-methanol.Natronlauge; |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| at 220℃; under 7 Torr; |
| Conditions | Yield |
|---|---|
| erucic acid anhydride; |
| Conditions | Yield |
|---|---|
| Kinetics; |
- 112-86-7
cis-13-docosenoic acid
| Conditions | Yield |
|---|---|
| With ethanol; sodium |
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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: 
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)
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 .