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| CAS No.: | 661-19-8 | |||
|---|---|---|---|---|
| Name: | 1-Docosanol | |||
| Article Data: | 38 | |||
| Molecular Structure: | ||||
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| Formula: | C22H46O | |||
| Molecular Weight: | 326.607 | |||
| Synonyms: | Abreva;Behenic alcohol;Behenyl 80 Alcohol;Behenyl alcohol;Conol 2265;Docosyl alcohol;Hainol 22S;IK 2;IK 2 (alcohol);Kalcohl 22080;Kalcol 22080;Lanette 22;NAA 422;NSC 8407;Nacol 22-97;Nacol 22-98;Stenol 1822;Stenol1822A;Tadenan;Toho BH 65;n-Docosanol; | |||
| EINECS: | 211-546-6 | |||
| Density: | 0.839 g/cm3 | |||
| Melting Point: | 65-72 °C(lit.) | |||
| Boiling Point: | 375.9 °C at 760 mmHg | |||
| Flash Point: | 142.5 °C | |||
| Solubility: | Insoluble in water | white powder | ||
| Safety: | 24/25 | |||
| PSA: | 20.23000 | |||
| LogP: | 7.80060 | |||
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1-docosanol
- 661-19-8
1-docosanol
| Conditions | Yield |
|---|---|
| With iodine In methanol microwave irradiation; | 100% |
- 661-19-8
1-docosanol
| Conditions | Yield |
|---|---|
| With iodine In methanol microwave irradiation; | 100% |
- 57402-36-5
n-docosanal
- 661-19-8
1-docosanol
| Conditions | Yield |
|---|---|
| With magnesium; tin(ll) chloride In tetrahydrofuran for 0.25h; | 98% |
- 184678-19-1
2-Docosyloxy-tetrahydro-pyran
- 661-19-8
1-docosanol
| Conditions | Yield |
|---|---|
| With CuCl2*H2O In ethanol for 3h; Hydrolysis; Heating; | 91% |
| With iodine In methanol for 0.166667h; microwave irradiation; | 80% |
| With toluene-4-sulfonic acid In methanol for 8h; Ambient temperature; |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; iodine In tetrahydrofuran at 0 - 30℃; Reagent/catalyst; | 87.6% |
| Multi-step reaction with 2 steps 1: H2SO4 / 7 h / Heating 2: LiAlH4 / tetrahydrofuran / 3 h / 0 - 20 °C View Scheme | |
| With acetic acid |
- 112-95-8
icosane
- 629-97-0
n-docosane
- 630-01-3
n-hexacosane
- 629-50-5
Tridecane
- 593-45-3
octadecane
- 646-31-1
tetracosane
- 630-02-4
octacosane
- 638-68-6
n-triacontane
A
- 112-92-5
1-octadecanol
B
- 629-96-9
n-eicosanol
C
- 593-50-0
melissyl alcohol
D
- 661-19-8
1-docosanol
E
- 506-51-4
tetracosyl alcohol
F
- 506-52-5
hexacosyl alcohol
G
- 557-61-9
octacosyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: icosane; n-docosane; n-hexacosane; octadecane; tetracosane; octacosane; n-triacontane With oxygen at 30 - 50℃; under 1575.16 Torr; for 0.5h; Stage #2: Tridecane With titanium(IV) isopropylate at 30 - 50℃; under 1575.16 - 3750.38 Torr; for 6.86667h; Stage #3: With sulfuric acid; water at 80℃; Product distribution / selectivity; | A 17.66% B 19.46% C 0.1% D 13.62% E 6.93% F 2.04% G 0.48% |
- 112-95-8
icosane
- 629-97-0
n-docosane
- 630-01-3
n-hexacosane
- 593-45-3
octadecane
- 646-31-1
tetracosane
- 630-02-4
octacosane
- 638-68-6
n-triacontane
A
- 112-92-5
1-octadecanol
B
- 629-96-9
n-eicosanol
C
- 593-50-0
melissyl alcohol
D
- 661-19-8
1-docosanol
E
- 506-51-4
tetracosyl alcohol
F
- 506-52-5
hexacosyl alcohol
G
- 557-61-9
octacosyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: icosane; n-docosane; n-hexacosane; octadecane; tetracosane; octacosane; n-triacontane With oxygen at 30 - 50℃; under 1575.16 - 3675.37 Torr; for 3h; Stage #2: With sulfuric acid; water Product distribution / selectivity; | A 12.4% B 13.4% C 0.05% D 7.8% E 3.2% F 1% G 0.2% |
| Conditions | Yield |
|---|---|
| With copper oxide-chromium oxide under 147102 Torr; Hydrogenation; | |
| With lithium aluminium tetrahydride; diethyl ether |
- 149068-49-5
docosanoic acid phenyl ester
- 661-19-8
1-docosanol
| Conditions | Yield |
|---|---|
| With i-Amyl alcohol; sodium |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h; | |
| With lithium aluminium tetrahydride In tetrahydrofuran |
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Specification
The 1-Docosanol, with the CAS registry number 661-19-8,is also known as Behenyl alcohol. It belongs to the product categories of Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes. This chemical's molecular formula is C22H46O and molecular weight is 326.60. Its EINECS number is 211-546-6.What's more,Its systematic name is 1-Docosanol.It is a white powder which is stable,combustible,incompatible with strong oxidizing agents.And it is used for the synthesis of emulsifiers, surface active agent, widely used in personal care, cleaning and health products industry. Besides, it is also used for anti-herpes virus.
Physical properties about 1-Docosanol are:
(1)H bond acceptors: 1 ; (2)H bond donors: 1 ; (3)Freely Rotating Bonds: 21 ; (4)Polar Surface Area: 9.23 ?2 ; (5)Index of Refraction: 1.454 ; (6)Molar Refractivity: 105.5 cm3 ; (7)Molar Volume: 389.1 cm3 ; (8)Melting Point: 68-72°C ; (9)Surface Tension: 31.7 dyne/cm ; (10)Density: 0.839 g/cm3 ; (11)Flash Point: 142.5 °C ; (12)Enthalpy of Vaporization: 72.13 kJ/mol ; (13)Boiling Point: 375.9 °C at 760 mmHg ; (14)Vapour Pressure: 3.44E-07 mmHg at 25°C ; (15)Water solubility : Insoluble ; (16)Storage temp: 2-8°C.
You can still convert the following datas into molecular structure:
(1)SMILES:OCCCCCCCCCCCCCCCCCCCCCC;
(2)Std. InChI:InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3;
(3)Std. InChIKey:NOPFSRXAKWQILS-UHFFFAOYSA-N.
Safety Information of 1-Docosanol:
The 2,6-Diaminotoluene is Harmful in contact with skin and if swallowed and possible risk of irreversible effects. It may cause sensitization by skin contact. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment,avoid release to the environment. Refer to special instructions / safety data sheets. But there is limited evidence of a carcinogenic effect. When you use it ,wear suitable protective clothing and gloves,and avoid contact with skin.
The toxicity data of 1-Docosanol as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 800mg/kg (800mg/kg) | Drugs of the Future. Vol. 17, Pg. 879, 1992. | |
| mouse | LD50 | intravenous | > 800mg/kg (800mg/kg) | Drugs of the Future. Vol. 17, Pg. 879, 1992. | |
| mouse | LD50 | subcutaneous | > 800mg/kg (800mg/kg) | Drugs of the Future. Vol. 17, Pg. 879, 1992. |