Basic information
- Name:
Tetracosane,2,6,10,15,19,23-hexamethyl-
- Superlist Name:
- Squalane
- CAS No.:
111-01-3
- Molecular Structure:
- Formula:
- C30H62
- Molecular Weight:
- 422.92
- 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;
- EINECS:
- 203-825-6
- Density:
- 0.803 g/cm3
- Melting Point:
- -38 °C(lit.)
- Boiling Point:
- 470.3 °C at 760 mmHg
- Flash Point:
- 217.8 °C
- Appearance:
- viscous colourless liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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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%.
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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