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1-Docosanol

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Name

1-Docosanol

EINECS 211-546-6
CAS No. 661-19-8 Density 0.839 g/cm3
Solubility Insoluble in water Melting Point 65-72 °C(lit.)
Formula C22H46O Boiling Point 375.9 °C at 760 mmHg
Molecular Weight 326.60 Flash Point 142.5 °C
Transport Information Appearance white powder
Safety 24/25 Risk Codes
Molecular Structure Molecular Structure of 661-19-8 (1-Docosanol) Hazard Symbols
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;

 

1-Docosanol 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.

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