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| CAS No.: | 112-85-6 |
|---|---|
| Name: | Docosanoic acid |
| Article Data: | 58 |
| Molecular Structure: | |
|
|
|
| Formula: | C22H44O2 |
| Molecular Weight: | 340.59 |
| Synonyms: | Glycon B 70;Hydrofol Acid 560;NAA 222S;NAA 22S;NSC 32364;Prifac 2987;n-Docosanoic acid;Edenor C 22-85R;Edenor C22-85RGS;Hydrofol 2022-55;EXL 5;1-Docosanoicacid;B 95;B 95 (acid);Behenic acid; |
| EINECS: | 204-010-8 |
| Density: | 0.881 g/cm3 |
| Melting Point: | 72-80 °C(lit.) |
| Boiling Point: | 391.8 °C at 760 mmHg |
| Flash Point: | 176.3 °C |
| Solubility: | Soluble in DMF (~3 mg/ml), hot methanol, water (0.15 mg/ml at 25°C), chloroform, and ethanol (2.18 mg/ml at 25°C). |
| Appearance: | white to cream crystals or powder |
| Hazard Symbols: | 36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-24/25 |
| PSA: | 37.30000 |
| LogP: | 7.89290 |
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| Conditions | Yield |
|---|---|
| With hydrogen In methanol at 20℃; for 4h; | 97.5% |
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In tetrahydrofuran at 20 - 30℃; under 4500.45 - 6000.6 Torr; | 90.3% |
| bei der Reduktion an platinierten Platinkathoden.Electrolysis; | |
| With selenium at 300℃; |
- 116802-23-4
6-docosenoic acid
- 112-85-6
n-docosanoic acid
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol for 6h; | 86% |
| Conditions | Yield |
|---|---|
| With ethanol; platinum Hydrogenation; |
| Conditions | Yield |
|---|---|
| With hydrogen; nickel Hydrogenation; |
| Conditions | Yield |
|---|---|
| With air at 95℃; |
- 115097-02-4
5-oxo-docosanoic acid
- 112-85-6
n-docosanoic acid
| Conditions | Yield |
|---|---|
| With methanol; sodium; hydrazine; diethylene glycol at 195℃; |
- 112-85-6
n-docosanoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; hydrazine hydrate; diethylene glycol |
- 115097-01-3
4-oxodocosanoic acid
- 112-85-6
n-docosanoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; hydrazine hydrate; diethylene glycol at 220℃; |
| Conditions | Yield |
|---|---|
| Hydrogenation; |
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Chemistry
Molecule structure of Behenic acid (CAS NO.112-85-6):
IUPAC Name: Docosanoic acid
Molecular Weight: 340.58356 g/mol
Molecular Formula: C22H44O2
Density: 0.881 g/cm3
Melting Point: 72-80 °C(lit.)
Boiling Point: 391.8 °C at 760 mmHg
Flash Point: 176.3 °C
Index of Refraction: 1.458
Molar Refractivity: 105.53 cm3
Molar Volume: 386.3 cm3
Polarizability: 41.83×10-24 cm3
Surface Tension: 33.4 dyne/cm
Enthalpy of Vaporization: 67.66 kJ/mol
Vapour Pressure: 7.66E-07 mmHg at 25 °C
Water Solubility: 0.016 mg/L
Storage Temp.: 2-8 °C
XLogP3: 9.6
H-Bond Donor:1
H-Bond Acceptor: 2
Rotatable Bond Count: 20
Exact Mass: 340.334131
MonoIsotopic Mass: 340.334131
Topological Polar Surface Area: 37.3
Heavy Atom Count: 24
Complexity: 250
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI: InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey: UKMSUNONTOPOIO-UHFFFAOYSA-N
EINECS: 204-010-8
Product Categories: Saturated Higher Fatty Acids;Alkylcarboxylic Acids;Biochemistry;Color Former & Related Compounds;Functional Materials;Higher Fatty Acids & Higher Alcohols;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Sensitizer
Uses
Behenic acid (CAS NO.112-85-6) is used in organic synthesis.
Safety Profile
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
Hazardous Substances Data 112-85-6(Hazardous Substances Data)
As a dietary oil, behenic acid is poorly absorbed. In spite of its low bioavailability compared with OLEIC ACID, behenic acid is a Cholesterol-raising fatty acid in humans.
Specification
Behenic acid (CAS NO.112-85-6) is also named as 1-Docosanoic acid ; AI3-52709 ; Docosanoic acid ; Docosoic acid ; Glycon B-70 ; HSDB 5578 ; Hydrofol 2022-55 ; Hydrofol Acid 560 ; NSC 32364 ; UNII-H390488X0A ; n-Docosanoic acid . Behenic acid (CAS NO.112-85-6) is white to cream crystals or powder. It is stable and combustible. It is incompatible with bases, oxidizing agents, reducing agents.