Batyl alcohol - CAS 544-62-7
Catalog: |
BB028682 |
Product Name: |
Batyl alcohol |
CAS: |
544-62-7 |
Synonyms: |
3-octadecoxypropane-1,2-diol |
IUPAC Name: | 3-octadecoxypropane-1,2-diol |
Description: | Batilol is an alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted to the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent. Batyl alcohol, isolated from shark liver oil, is also present in yellow bone marrow of animals and has been described as an inflammatory agent. |
Molecular Weight: | 344.57 |
Molecular Formula: | C21H44O3 |
Canonical SMILES: | CCCCCCCCCCCCCCCCCCOCC(CO)O |
InChI: | InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3 |
InChI Key: | OGBUMNBNEWYMNJ-UHFFFAOYSA-N |
Boiling Point: | 471.1 °C at 760 mmHg |
Melting Point: | 71-73 °C |
Flash Point: | 238.7°C |
Purity: | ≥ 98% |
Density: | 0.914 g/cm3 |
Solubility: | Soluble in DMSO. |
Appearance: | Solid powder |
Storage: | -15°C |
LogP: | 5.61770 |
Refractive Index: | 1.464 |
GHS Hazard Statement: | H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
23356207 | 20130322 | Quantitative purity-activity relationships of natural products: the case of anti-tuberculosis active triterpenes from Oplopanax horridus | Journal of natural products |
22899020 | 20121101 | In vitro study of triglyceride lipolysis and phase distribution of the reaction products and cholesterol: effects of calcium and bicarbonate | Food & function |
22692080 | 20120915 | Decylglucoside-based microemulsions for cutaneous localization of lycopene and ascorbic acid | International journal of pharmaceutics |
22627108 | 20120901 | Functions of plasmalogen lipids in health and disease | Biochimica et biophysica acta |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 344.32904526 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 344.32904526 |
Rotatable Bond Count: | 20 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.6 |
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