2-naphthyl phenyl ketone
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IUPAC name :naphthalen-2-yl-phenylmethanone
InChI :InChI=1/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKey :SJNXJRVDSTZUFB-UHFFFAOYAO
SMILES :C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2
cas number :644-13-3
(EINECS) number :211-410-6
molar refractivity :73.88 ± 0.3 cm3
parachor :530.7 ± 4.0 cm3
index of refraction :1.653 ± 0.02
surface tension :47.9 ± 3.0 dyne/cm
density :1.151 ± 0.06 g/cm3
polarizability :29.29 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 232.2765800
formula :C17 H12 O
BioActivity Analysis :71334
NMR Predictor :Predict
 
 
export tariff code :2914.30.0000
fda reg :unspecified

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 orangeblossom floral

properties :
appearence :white to pale yellow crystals
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 82.00 °C. @ 760.00 mm Hg
boiling point : 225.00 °C. @ 8.00 mm Hg
boiling point : 384.00 to 385.00 °C. @ 760.00 mm Hg
flash point : 346.00  °F.  TCC  ( 174.44 °C. )
logP (o/w) : 4.41

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

safety in use :
 
recommendation for 2-naphthyl phenyl ketone usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for 2-naphthyl phenyl ketone usage levels up to :
 not for flavor use.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 naphthalen-2-yl-phenylmethanone
(EINECS) number :211-410-6
chemidplus :000644133
EPA Substance Registry Services :644-13-3
dtp/nci :5190

references :
 naphthalen-2-yl-phenylmethanone
NIST Chemistry WebBook :3466396759
pubchem :211689

other :
synonyms :
2-benzonaphthone
2-benzoyl naphthalene
beta-benzoyl naphthalene
 naphthalen-2-yl phenyl methanone
 naphthalen-2-yl-phenylmethanone
2-naphthalenyl phenyl methanone
 phenyl naphthyl ketone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 jasmin
 neroli
 orange blossom fleur d'oranger
 sweet pea pois de senteur

natural occurrence in :
not found in nature



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