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| IUPAC name : | 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione |
| InChI : | InChI=1/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3 |
| InChIKey : | NEZONWMXZKDMKF-UHFFFAOYAK |
| SMILES : | CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C |
| cas number : | 23444-65-7 |
| molar refractivity : | 75.86 ± 0.3 cm3 |
| parachor : | 596.5 ± 6.0 cm3 |
| index of refraction : | 1.642 ± 0.02 |
| surface tension : | 65.1 ± 3.0 dyne/cm |
| density : | 1.373 ± 0.06 g/cm3 |
| polarizability : | 30.07 ± 0.5 10-24cm3 |
| XlogP3-AA : | 3.00 |
| molecular weight : | 288.2952400 (IUPAC) |
| formula : | C16 H16 O5 |
| BioActivity Analysis : | 137848 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | ALKANNIN
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organoleptics :
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properties :
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| assay : | 90.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 566.00 to 568.00 °C. @ 760.00 mm Hg
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| flash point : | 591.00 °F. TCC ( 310.56 °C. )
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| logP (o/w) : | 4.35 |
safety :
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| Oral Toxicity(LD50) : | | |
Oral-Rat >1000.00 mg/kg Nahrung. Chemistry, Biochemistry, Microbiology, Technology, Nutrition. Vol. 15, Pg. 505, 1971.
Oral-Mouse 3000.00 mg/kg Nahrung. Chemistry, Biochemistry, Microbiology, Technology, Nutrition. Vol. 15, Pg. 505, 1971.
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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safety references :
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| EPI System : | view |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
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| | 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
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| chemidplus : | 023444657 |
| EPA Substance Registry Services : | 23444-65-7 |
| dtp/nci : | 252844 |
references :
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| | 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
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| pubchem : | 173937 |
Cosmetics :
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| Cosmetic uses : |
skin conditioning
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other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |
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synonyms :
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| | alkanet root extract | | | alkanna tinctoria root extract | | | c.i. 75530 | | | c.i. natural red 20 | | 5,8- | dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione | | (-)-5,8- | dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalene dione | | | dyer's alkanet extract | | (-)-(1- | hydroxy-3-isohexenyl) naphthazarine | | | orkanet extract |
natural occurrence in :
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| not found in nature |
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