1-methyl naphthalene
 
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IUPAC name :1-methylnaphthalene
InChI :InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
InChIKey :QPUYECUOLPXSFR-UHFFFAOYAD
SMILES :CC1=CC=CC2=CC=CC=C12
(EINECS) number :201-966-8
cas number :90-12-0
fema number :3193
coe number :11009
jecfa number :1335
fl. number :01.014
molar refractivity :48.92 ± 0.3 cm3
parachor :348.7 ± 4.0 cm3
index of refraction :1.616 ± 0.02
surface tension :38.7 ± 3.0 dyne/cm
density :1.016 ± 0.06 g/cm3
polarizability :19.39 ± 0.5 10-24cm3
xlogp : 3.70
molecular weight : 142.1971000
formula :C11 H10
BioActivity Analysis :70043
 
 
fda reg :unspecified h. number :2902.90.00.30
organoleptics : 
odor type :naphthyl
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
naphthyl chemical medical camphor
taste description³ :at 1.00 ppm.  
Naphthyl-like with a medicinal nuance
properties : 
appearence :pale yellow clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.00100 @ 25.00 °C.
refractive index :1.61500 @ 20.00 °C.
melting point : -22.00 °C. @ 760.00 mm Hg
boiling point : 240.00 - 243.00 °C. @ 760.00 mm Hg
logp : 3.87
safety : 
Oral Toxicity(LD50) : Oral-Rat    1840.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  7500.00  mg/kg    
  
flash point ( Deg. F. ) : 180.00  °F.  TCC  ( 82.22 °C. )
  
recommendation for 1-methyl naphthalene usage levels up to :
 not for fragrance use.
  
recommendation for 1-methyl naphthalene usage levels up to :
  1.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :201-966-8
rtecs :QJ9630000 for 90-12-0
chemidplus :000090120
epa-srs :90-12-0
dtp/nci :3574
  
other : 
 
references : 
pubchem :150020
NIST Chemistry WebBook :3116376037
  
reference : Mosciano, Gerard P&F 16, No. 6, 43, (1991)³
synonyms :
1-methyl naphthalene
alpha-methyl naphthalene
soluble in :
 alcohol
 water, 26 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 cheese
 grape
 meat
 smoke
 strawberry
natural occurrence in :
apple
capsicum peppers
data pagecassie absolute @ trace%
grape
milk products
pea
strawberry



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