alkannin
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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
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :ALKANNIN

organoleptics :

properties :
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 566.00 to 568.00 °C. @ 760.00 mm Hg
flash point : 591.00  °F.  TCC  ( 310.56 °C. )
logP (o/w) : 4.35

safety :
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.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 

safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
 
 
 
 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
chemidplus :023444657
EPA Substance Registry Services :23444-65-7
dtp/nci :252844

references :
 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
pubchem :173937

Cosmetics :
Cosmetic uses : skin conditioning

other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 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 :
not found in nature



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