acetophenone
Notes :
Blends well with rose bases.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :1-cyclohexylethanone
InChI :InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey :KWOLFJPFCHCOCG-UHFFFAOYAT
SMILES :CC(=O)C1=CC=CC=C1
(EINECS) number :202-759-4
eu annex :606-042-00-1
cas number :98-86-2
fema number :2009
coe number :138
jecfa number :806
fl. number :07.004
molar refractivity :36.28 ± 0.3 cm3
parachor :292.4 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :0.993 ± 0.06 g/cm3
polarizability :14.38 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 120.1485200
formula :C8 H8 O
BioActivity Analysis :73468
 
 
fda reg :172.515 h. number :2914.30.0000
organoleptics : 
odor type :floral
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet pungent hawthorn mimosa almond chemical
taste description³ :at 3.50 - 10.00 ppm.  
Powdery, bitter almond cherry pit-like with coumarinic and fruity nuances
substantivity :7 hour(s) at 100.00 %
properties : 
appearence :colorless to pale yellow clear liquid but solid at low temps
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.02500 - 1.03200 @ 25.00 °C.
pounds per gallon - calc. : 8.529 to 8.587
refractive index :1.53300 - 1.53600 @ 20.00 °C.
melting point : 19.00 - 20.00 °C. @ 760.00 mm Hg
boiling point : 202.00 - 203.00 °C. @ 760.00 mm Hg
boiling point : 114.00 - 115.00 °C. @ 50.00 mm Hg
logp : 1.58
shelf life : 24.00 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) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    815.00  mg/kg    26(8),53,1982
Dermal Toxicity(LD50) : Skin-Rabbit  15900.00  ul/kg    26(8),53,1982
  
flash point ( Deg. F. ) : 179.00  °F.  TCC  ( 81.67 °C. )
  
recommendation for acetophenone usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for acetophenone usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :202-759-4
rtecs :AM5250000 for 98-86-2
toxnet :98-86-2
epa-srs :98-86-2
pubchem :98-86-2
  
other : 
  C of A
references : 
reference : Mosciano, Gerard P&F 26, No. 2, 40, (2001)³
synonyms :
 acetophenone
 acetyl benzene
 acetyl benzol
 benzoyl methide
 benzoylmethide
 methyl phenyl ketone
1-phenyl ethanone
 phenyl methyl ketone
1-phenyl-1-ethanone
1-phenylethanone
soluble in :
 chloroform
 diethyl phthalate
 essential oils
 ether
 ethyl alcohol, 5 volumes of 50% alcohol
 glycerol
insoluble in :
 water
 glycerin
stability :
 non-discoloring in most media
(odor and/or flavor) blends with :
 acetoin
 amyris wood oil
 animal carbolactone
para-anisaldehyde
 anise seed oil
 benzoin resinoid
 benzophenone
 benzyl acetate
 bergamot oil
isobornyl acetate
 caramel furanone
 cassia bark oil
 castoreum absolute
 cedarwood oil atlas
 cinnamaldehyde
 citral
 citronella oil
 coumarin
 dihydroanethol
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 ethyl phenyl acetate
 frankincense oil
 guaiacwood oil
 heliotropin
 heliotropyl acetone
 immortelle absolute
 labdanum resinoid
 maltol
 methyl benzoate
 methyl phenyl acetate
2-methyl undecanal
 musks
 myrrh oil
gamma-octalactone
 patchouli oil
 rose bases
alpha-terpineol
 tonka bean absolute
(odor and/or flavor) used in :
 acacia
 almond
 amber
 beef roasted beef
 bubblegum
 butterscotch
 cassie acacia farnesiana
 castoreum
 cherry
 chocolate cocoa
 cranberry
 fern fougere
 floral
 hawthorn
 hay new mown hay foin coupe
 herbal
 labdanum
 lavender
 leather russian leather
 lemon
 lilac lilas syringa
 mimosa wattle
 nut
 orris iris
 rose
 strawberry
 tea green tea
 tobacco tabac tabaco
 wistaria wisteria glycine
 woodruff asperula
natural occurrence in :
 beef roasted beef 401 ppm
 castoreum absolute
 castoreum extract
 cocoa 463 ppm
 cranberry 5 ppm
 elsholtzia argyi var. nipponica
 elsholtzia citiata
 grape concord grape
 labdanum
 o. citraliferum
 o. linalooliferum var. laerolinalooliferum
 o. sabinotiferum var. taiwanense
 orris
 orthodon species
 pea green pea
 populus balsaifera
 raspberry
 stirlingia latifolia 90%
 strawberry 11 ppm
 tea green tea



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