Squalane - CAS 111-01-3
Catalog: |
BB002699 |
Product Name: |
Squalane |
CAS: |
111-01-3 |
Synonyms: |
2,6,10,15,19,23-hexamethyltetracosane |
IUPAC Name: | 2,6,10,15,19,23-hexamethyltetracosane |
Description: | Squalane is commonly used as an emollient and moisturizer. |
Molecular Weight: | 422.81 |
Molecular Formula: | C30H62 |
Canonical SMILES: | CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C |
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 |
InChI Key: | PRAKJMSDJKAYCZ-UHFFFAOYSA-N |
Boiling Point: | 176 °C at 0.05 mmHg |
Melting Point: | -38°C |
Flash Point: | 218°C |
Density: | 0.8085 g/cm3 |
Solubility: | Soluble in chloroform, hexanes (slightly). |
Appearance: | Clear colourless oil |
Storage: | Freezer |
MDL: | MFCD00008953 |
LogP: | 11.08440 |
Refractive Index: | 1.451-1.4525 |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
GHS Hazard Statement: | H315 (68.29%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-9089505-B1 | Skin firming cream | 20141014 |
WO-2015075281-A1 | Polyurethane urea solutions for cosmetic compositions | 20140805 |
US-2015374599-A1 | Flavour and fragrance compositions comprising acetophenone derivatives | 20140630 |
EP-2959885-A1 | Stable cosmetic and dermatological preparation with high sun block factor | 20140627 |
WO-2015200563-A1 | Enhanced bioavailability of polysaturated fatty acids | 20140626 |
PMID | Publication Date | Title | Journal |
23807737 | 20130821 | Inelastic scattering of OH radicals from organic liquids: isolating the thermal desorption channel | Physical chemistry chemical physics : PCCP |
23659974 | 20130614 | Determinations of gas-liquid partition coefficients using capillary chromatographic columns. Alkanols in squalane | Journal of chromatography. A |
23073464 | 20121128 | How membrane permeation is affected by donor delivery solvent | Physical chemistry chemical physics : PCCP |
22722683 | 20120801 | Long-living structures of photochromic salicylaldehyde azine: polarity and viscosity effects from nanoseconds to hours | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
23006993 | 20120801 | Optimization of cell-wall skeleton derived from Mycobacterium bovis BCG Tokyo 172 (SMP-105) emulsion in delayed-type hypersensitivity and antitumor models | Drug discoveries & therapeutics |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 422.485151978 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 422.485151978 |
Rotatable Bond Count: | 21 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 4 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 14.7 |
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