Peroximon F 40
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Basic Info
| Common Name | Peroximon F 40(F10901) |
| 2D Structure | |
| FRCD ID | F10901 |
| CAS Number | 25155-25-3 |
| PubChem CID | 17721 |
| Formula | C20H34O4 |
| IUPAC Name | 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene |
| InChI Key | GWQOYRSARAWVTC-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3 |
| Canonical SMILES | CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C |
| Isomeric SMILES | CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C |
| Wikipedia | Peroximon F 40 |
| Synonyms |
Peroximon F 40
Peroximon F 100
Perkadox 14/40C
Perkadox U 14/40
UNII-431KDL2BJM
25155-25-3
HSDB 5895
431KDL2BJM
2781-00-2
EINECS 220-479-1
|
| Classifies |
Food Additive
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Dialkyl peroxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 338.488 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Complexity | 341 |
| Monoisotopic Mass | 338.246 |
| Exact Mass | 338.246 |
| XLogP | 4.5 |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9575 |
| Human Intestinal Absorption | HIA+ | 0.9935 |
| Caco-2 Permeability | Caco2+ | 0.6914 |
| P-glycoprotein Substrate | Non-substrate | 0.6798 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.7683 |
| Non-inhibitor | 0.9679 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9232 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.7711 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8149 |
| CYP450 2D6 Substrate | Non-substrate | 0.8723 |
| CYP450 3A4 Substrate | Non-substrate | 0.5000 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8706 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8015 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9541 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8475 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.7613 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.7622 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9597 |
| Non-inhibitor | 0.9264 | |
| AMES Toxicity | Non AMES toxic | 0.9132 |
| Carcinogens | Carcinogens | 0.6020 |
| Fish Toxicity | High FHMT | 0.5000 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.6890 |
| Honey Bee Toxicity | High HBT | 0.8606 |
| Biodegradation | Not ready biodegradable | 0.8779 |
| Acute Oral Toxicity | III | 0.5660 |
| Carcinogenicity (Three-class) | Non-required | 0.4825 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -3.5012 | LogS |
| Caco-2 Permeability | 1.3538 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.5431 | LD50, mol/kg |
| Fish Toxicity | 0.8722 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.1728 | pIGC50, ug/L |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Carcinogenic and Non-carcinogenic Risk Assessment of Heavy Metals in Groundwater Wells in Neyshabur Plain, Iran. | Biol Trace Elem Res | 2018 Sep 17 | 30225757 |
| Transgenerational endotoxin tolerance-like effect caused by paternal dietary Astragalus polysaccharides in broilers' jejunum. | Int J Biol Macromol | 2018 May | 29355626 |
| A novel fucolectin from Apostichopus japonicus with broad PAMP recognition pattern. | Fish Shellfish Immunol | 2018 Jun | 29627478 |
| Toxicity of Chlorine Dioxide Gas to Phosphine-Susceptible and -Resistant Adults of Five Stored-Product Insect Species: Influence of Temperature and Food During Gas Exposure. | J Econ Entomol | 2018 Jul 10 | 29992333 |
| Surfing as a risk factor for sensitization to poly(γ-glutamic acid) in fermented soybeans, natto, allergy. | Allergol Int | 2018 Jul | 29175280 |
| Polyhydroxyalkanoates (PHA) production from phenol in an acclimated consortium: Batch study and impacts of operational conditions. | J Biotechnol | 2018 Feb 10 | 29305323 |
| Cytotoxic and Apoptotic Activities of Prunus spinosa Trigno Ecotype Extract on Human Cancer Cells. | Molecules | 2017 Sep 20 | 28930188 |
| Detoxification, metabolism, and glutathione pathway activity of aflatoxin B1 by dietary lactic acid bacteria in broiler chickens. | J Anim Sci | 2017 Oct | 29108062 |
| Role of Streptomyces pactum in phytoremediation of trace elements by Brassica juncea in mine polluted soils. | Ecotoxicol Environ Saf | 2017 Oct | 28647606 |
| Determinants of serum manganese levels in an Italian population. | Mol Med Rep | 2017 May | 28339021 |
| Comparison of the In Vivo Biotransformation of Two Emerging Estrogenic Contaminants, BP2 and BPS, in Zebrafish Embryos and Adults. | Int J Mol Sci | 2017 Mar 25 | 28346357 |
| A mussel tissue certified reference material for multiple phycotoxins. Part 4: certification. | Anal Bioanal Chem | 2017 Jan | 27830316 |
| Evaluation of the efficacy, acceptability and palatability of calcium montmorillonite clay used to reduce aflatoxin B1 dietary exposure in a crossover study in Kenya. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2017 Jan | 27603954 |
| Biophysical Analysis of Lipopolysaccharide Formulations for an Understanding of the Low Endotoxin Recovery (LER) Phenomenon. | Int J Mol Sci | 2017 Dec 16 | 29258200 |
| Development of structure switching aptamer assay for detection of aflatoxin M1 in milk sample. | Talanta | 2016 Sep 1 | 27343575 |
| Effect of Deep-Frying or Conventional Oven Cooking on Thermal Inactivation of Shiga Toxin-Producing Cells of Escherichia coli in Meatballs. | J Food Prot | 2016 May | 27296418 |
| Wild food plants used in traditional vegetable mixtures in Italy. | J Ethnopharmacol | 2016 Jun 5 | 26944238 |
| Temporal trend of polychlorinated dibenzo-p-dioxin/polychlorinated dibenzofuran and dioxin like-polychlorinated biphenyl concentrations in food from Taiwan markets during 2004-2012. | J Food Drug Anal | 2016 Jul | 28911572 |
| Influence of environmental parameters on mycotoxin production by Alternaria arborescens. | Int J Food Microbiol | 2016 Feb 16 | 26708802 |
| Effects of conjugated linoleic acid and lutein on the growth performance and immune response of broiler chickens. | Poult Sci | 2016 Feb | 26527712 |