Diphenyl 8-Methyl-1-nonanol Phosphate - CAS 1346599-15-2
Catalog: |
BB055916 |
Product Name: |
Diphenyl 8-Methyl-1-nonanol Phosphate |
CAS: |
1346599-15-2 |
Synonyms: |
8-Methyl-1-nonanol Diphenyl Phosphate; Isodecyldiphenyl Phosphate |
IUPAC Name: | 8-methylnonyl diphenyl phosphate |
Description: | An intermediate of Capsaicin (C175682). |
Molecular Weight: | 390.45 |
Molecular Formula: | C22H31O4P |
Canonical SMILES: | CC(C)CCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 |
InChI: | InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3 |
InChI Key: | RYUJRXVZSJCHDZ-UHFFFAOYSA-N |
Boiling Point: | Decomposes |
Melting Point: | -31 °F |
Flash Point: | greater than 200 °F |
Density: | 1.074 |
Solubility: | Insoluble (<1 mg/ml at 70 °f); water solubility: 0.75 mg/l at 25 °C |
Appearance: | Isodecyl diphenyl phosphate is a viscous clear colorless liquid. (ntp, 1992);liquid;clear colorless liquid |
GHS Hazard Statement: | H413 (98.03%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P273, and P501 |
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PMID | Publication Date | Title | Journal |
33367866 | 20210226 | Effects of an Environmentally Relevant Mixture of Organophosphate Esters Derived From House Dust on Endochondral Ossification in Murine Limb Bud Cultures | Toxicological sciences : an official journal of the Society of Toxicology |
33078273 | 20210101 | Organophosphorus flame retardants are developmental neurotoxicants in a rat primary brainsphere in vitro model | Archives of toxicology |
4158 | 19750101 | [Decanoic acid, new precursor for in vitro biosynthesis of oleic acid by a plant subcellular fraction] | Biochimie |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 390.19599646 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 390.19599646 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.4 |
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