xanthoxylin
 
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IUPAC name :1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
InChI :InChI=1/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
InChIKey :FBUBVLUPUDBFME-UHFFFAOYAY
SMILES :CC(=O)C1=C(C=C(C=C1OC)OC)O
(EINECS) number :201-978-3
cas number :90-24-4
molar refractivity :51.51 ± 0.3 cm3
parachor :420.8 ± 4.0 cm3
index of refraction :1.527 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.172 ± 0.06 g/cm3
polarizability :20.42 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 196.1998800
formula :C10 H12 O4
BioActivity Analysis :80707
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor description :
borneol camphor

properties :
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 80.00 to 84.00 °C. @ 760.00 mm Hg
logp : 2.13

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 286.00  °F.  TCC  ( 141.11 °C. )

safety references :
EPI System :view
 
 
 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
(EINECS) number :201-978-3
chemidplus :000090244
EPA Substance Registry Services :90-24-4
NLM Chemical Carcinogenesis Research Information System :90-24-4
NLM Developmental and Reproductive Toxicity :90-24-4
NLM Env. Mutagen Info. Center :90-24-4
NLM GENetic TOXicology :90-24-4
dtp/nci :17392

references :
 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
pubchem :208746

other :
synonyms :
 brevifolin
4,6-dimethoxy-2-hydroxyacetophenone
2,4-dimethoxy-6-hydroxyacetophenone
2-hydroxy-4,6-dimethoxyacetophenone
1-(2-hydroxy-4,6-dimethoxyphenyl) ethan-1-one
2'-hydroxy-4',6'-dimethoxyacetophenone
 phloracetophenone dimethyl ether
 xanthoxylin
 xanthoxyline

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 balsam
 camphor
 fir
 pine

natural occurrence in :
data pageartemisia variabilis flower oil italy @ 0.10%



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