benzophenone
 
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IUPAC name :di(phenyl)methanone
InChI :InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey :RWCCWEUUXYIKHB-UHFFFAOYAX
SMILES :C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
(EINECS) number :204-337-6
cas number :119-61-9
fema number :2134
coe number :166
jecfa number :831
fl. number :07.032
molar refractivity :56.04 ± 0.3 cm3
parachor :426.9 ± 4.0 cm3
index of refraction :1.583 ± 0.02
surface tension :42.1 ± 3.0 dyne/cm
density :1.087 ± 0.06 g/cm3
polarizability :22.21 ± 0.5 10-24cm3
xlogp : 3.60
molecular weight : 182.2179000
formula :C13 H10 O
BioActivity Analysis :73790
 
 
fda reg :172.515
177.2600
h. number :2914.39.90
organoleptics : 
odor type :balsamic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
balsam rose metallic powdery geranium
substantivity :394 hour(s) at 100.00 %
properties : 
appearence :white crystalline solid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 47.00 - 51.00 °C. @ 760.00 mm Hg
boiling point : 305.00 - 307.00 °C. @ 760.00 mm Hg
boiling point : 170.00 - 171.00 °C. @ 15.00 mm Hg
logp : 3.18
shelf life : 36.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi N - Irritant, Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    >10.00  gm/kg  FCTXAV  11,873,1973
Dermal Toxicity(LD50) : Skin-Rabbit  3535.00  mg/kg  FCTXAV  11,873,1973
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for benzophenone usage levels up to :
  6.0000 % in the fragrance concentrate.
  
recommendation for benzophenone usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :204-337-6
rtecs :DI9950000 for 119-61-9
chemidplus :000119619
epa-srs :119-61-9
dtp/nci :8077
  
other : 
  C of A
references : 
pubchem :151552
NIST Chemistry WebBook :1073705171
  
synonyms :
 benzophenone
 diphenyl ketone
alpha-oxodiphenyl methane
 diphenyl methanone
alpha-oxoditane
soluble in :
 alcohol
 fixed oils
 paraffin oil
 water, 137 mg/L @ 25C
insoluble in :
 water
 glycerin
stability :
 bath foam
 non-discoloring in most media
 powder
 shampoo
(odor and/or flavor) blends with :
 ambrette seed oil
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 atractylis absolute
 benzoin resinoid
 benzyl cinnamate
 benzyl salicylate
 bois de rose oil
isobornyl acetate
 camphor oil
 carrot seed oil
 cassia bark oil
 cedarwood oils
 chamomile oil
 cistus oil
 citronellol
 costus valerolactone
 decanal
 decanol
 dimethyl benzyl carbinol
 dodecanal
 ethyl cinnamate
 ethyl laurate
 fir balsam absolute
 floral pyranol
 frankincense oil
 geraniol
 geranium oil
 guaiacwood oil
 gurjun balsam oil
 heliotropin
alpha-hexyl cinnamaldehyde
 hyacinth ether
 labdanum resinoid
 lilyall
laevo-linalool
 methyl cedryl ketone
 methyl ionones
 musks
beta-naphthyl ethyl ether
 nerolidol
gamma-nonalactone
 nonanol
 ocean propanal
 patchouli ethanone
 phenethyl phenyl acetate
 phenyl acetaldehyde
 rose absolute
 santall
 tonka bean absolute
10-undecen-1-al
 vanillin
 verymoss
 woody acetate
(odor and/or flavor) used in :
 agate
 amber
 apricot
 baby powder
 balsam
 bayberry
 berry
 bouquet
 butterscotch
 cedar forest
 christmas blends
 clean
 fir balsam
 fixer
 floral
 freesia
 fruit
 geranium
 ginger white ginger
 heather
 herbal
 hollyberry
 hyacinth jacinthe
 juniperberry
 lavender
 mimosa wattle
 moss
 muguet lily of the valley
 musk
 new car
 nut
 oriental
 patchouli
 peach
 pine
 pomegranate
 rain
 rose
 rose white rose
 sweet pea pois de senteur
 tea green tea
 tide
 vanilla
 woody
natural occurrence in :
found in nature



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