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Squalane
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Name

Squalane

 EINECS 203-825-6
CAS No. 111-01-3 Density 0.803 g/cm3
PSA 0.00000 LogP 11.08440
Solubility Not miscible or difficult to mix in water. Melting Point -38 °C(lit.)
Formula C30H62 Boiling Point 470.3 °C at 760 mmHg
Molecular Weight 422.822 Flash Point 217.8 °C
Transport Information N/A Appearance viscous colourless liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 111-01-3 (Squalane) Hazard Symbols IrritantXi
Synonyms

Dodecahydrosqualene;Fitoderm;Mild Finish 20P;NSC 6851;Nikko Squalane;Perhydrosqualene;Phtyosqualan;Phytiane LS;Phytosqualan;Pripure 3759;Pripure 379;Pripure SQV 3759;Robane;SQ-CONO;SophimSqualane-S;Spinacane;Squalan;Squalane;Squalane N;Super Squalane;Vitabiosol;2,6,10,15,19,23-Hexamethyltetracosane;Cetiol SQ;Cosbiol;

Article Data 34

Squalane Synthetic route

111-02-4

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
With hydrogen In ethanol at 50℃; under 760.051 Torr; for 6h; Reagent/catalyst; Temperature; Solvent; chemoselective reaction;99.6%
With hydrogen; nickel
With palladium 10% on activated carbon; hydrogen In ethanol at 100℃; under 3750.38 Torr; for 1h; Autoclave;
111-02-4

squalene

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
With hydrogen at 200℃; under 3000.3 Torr; for 6h; Catalytic behavior; Reagent/catalyst; Temperature; Pressure; Time; Green chemistry; chemoselective reaction;99.5%
With palladium on activated charcoal; tetrabutylammomium bromide; sodium hydroxide; silicon at 100℃; for 144h; Schlenk technique;89%
With platinum at 100 - 200℃; Hydrogenation.unter Druck entstehen Praeparate von unterschiedlichen Eigenschaften;

C30H50

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran; water at 20℃; Solvent; Flow reactor;95%

(6E,18E)-2,6,10,15,19,23-hexamethyl-2,6,18,22-tetracosatetraene-11,13-diyne-10,15-diol

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; palladium on activated charcoal In acetic acid at 100℃; for 12h;94%
78791-60-3

(Z)-2,6,10,15,19,23-Hexamethyl-tetracos-12-ene

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol Yield given;
111-02-4, 7683-64-9, 24566-13-0, 56782-22-0, 66700-96-7, 72258-60-7, 135092-55-6

(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaene

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethyl acetate Yield given;
198-55-0

PERYLENE

Squalane radical cation

A

198-55-0

perylene radical cation

B

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
In various solvent(s) at 23℃; Rate constant; Irradiation;
1626-09-1

2,7-octanedione

(+-)-4,8-dimethyl-nonyl magnesium chloride

(+-)-4,8-dimethyl-nonyl magnesium chloride

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
anschl. Dehydratisierung und Hydrierung;
111-02-4

squalene

nickel

nickel

active coal

active coal

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
Hydrogenation;
111-02-4

squalene

nickel

nickel

kieselguhr

kieselguhr

111-01-3

2,6,10,15,19,23-hexamethyltetracosane

Conditions
ConditionsYield
Hydrogenation;

Squalane Consensus Reports

Reported in EPA TSCA Inventory.

Squalane Specification

The Squalane is an organic compound with the formula C30H62. The systematic name of this chemical is 2,6,10,15,19,23-hexamethyltetracosane. With the CAS registry number 111-01-3, it is also named as tetracosane, 2,6,10,15,19,23-hexamethyl-. The product's categories are Biochemistry; Terpenes; Terpenes (Others); Gas Chromatography; Packed GC; Stationary Phases. Besides, it is a viscous colourless liquid, which should be stored in cool and ventilated place. It is used for gas chromatography fixed fluid.

Physical properties about Squalane are: (1)ACD/LogP: 15.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 15.59; (4)ACD/LogD (pH 7.4): 15.59; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 21; (10)Index of Refraction: 1.447; (11)Molar Refractivity: 140.78 cm3; (12)Molar Volume: 525.9 cm3; (13)Polarizability: 55.81×10-24cm3; (14)Surface Tension: 28 dyne/cm; (15)Density: 0.803 g/cm3; (16)Flash Point: 217.8 °C; (17)Enthalpy of Vaporization: 70.48 kJ/mol; (18)Boiling Point: 470.3 °C at 760 mmHg; (19)Vapour Pressure: 1.45E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by (6E,18E)-2,6,10,15,19,23-hexamethyl-2,6,18,22-tetracosatetraene-11,13-diyne-10,15-diol. This reaction will need reagent H2, 3 M HCl, catalyst 5percent Pd/C and solvent acetic acid. The reaction time is 12 hours with reaction temperature of 100 °C. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CCCC(CCCC(C)CCCC(C)C)C)C(C)CCCC(C)CCCC(C)C
(2)InChI: InChI=1/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3
(3)InChIKey: PRAKJMSDJKAYCZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3
(5)Std. InChIKey: PRAKJMSDJKAYCZ-UHFFFAOYSA-N

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