para-cresyl acetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(4-methylphenyl) acetate
InChI :InChI=1/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKey :CDJJKTLOZJAGIZ-UHFFFAOYAR
SMILES :CC1=CC=C(C=C1)OC(=O)C
(EINECS) number :205-413-1
cas number :140-39-6
beilstein number :1908125
fema number :3073
coe number :226
jecfa number :699
fl. number :09.036
molar refractivity :42.41 ± 0.3 cm3
parachor :346.4 ± 4.0 cm3
index of refraction :1.503 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :1.047 ± 0.06 g/cm3
polarizability :16.81 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 150.1745000
formula :C9 H10 O2
BioActivity Analysis :97700
 
 
fda reg :172.515 h. number :2916.35.1500
organoleptics : 
odor type :floral
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
narcissus phenolic animal
substantivity :36  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.03200 - 1.04000 @ 25.00 °C.
pounds per gallon - calc. : 8.587 to 8.654
specific gravity :1.03300 - 1.04100 @ 20.00 °C.
pounds per gallon - calc. : 8.606 to 8.672
refractive index :1.50000 - 1.50500 @ 20.00 °C.
boiling point : 210.00 - 211.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.11
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    1900.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  2100.00  mg/kg    
  
flash point ( Deg. F. ) : 194.00  °F.  TCC  ( 90.00 °C. )
  
recommendation for para-cresyl acetate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for para-cresyl acetate usage levels up to :
  220.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :205-413-1
rtecs :AJ7569000 for 140-39-6
chemidplus :000140396
epa-srs :140-39-6
dtp/nci :43244
  
other : 
  C of A
references : 
pubchem :151949
NIST Chemistry WebBook :2992273995
  
synonyms :
 acetic acid 4-methyl phenyl ester
 acetic acid para-tolyl ester
4-acetoxytoluene
para-acetoxytoluene
 acetyl para-cresol
para-cresol acetate
para-cresyl acetate
para-cresylic acetate
4-methyl benzoic acid methyl ester
4-methyl phenyl acetate
para-methyl phenyl acetate
para-tolyl acetate
para-tolyl ethanoate
soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, 1200 mg/L @ 25C
insoluble in :
 glycerin
 water
stability :
 non-discoloring in most media
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
para-anisaldehyde
para-anisyl alcohol
 benzoin resinoid
 benzyl alcohol
 benzyl benzoate
 benzyl salicylate
isobutyl benzoate
isobutyl quinoline
isobutyl salicylate
 carrot seed oil
 cinnamyl alcohol
 citronellol
 clover nitrile
para-cresyl caprylate
para-cresyl phenyl acetate
 cyclohexyl ethyl alcohol
 decanol
 dimethyl benzyl carbinol
 dimethyl hydroquinone
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl laurate
 ethyl phenyl acetate
 gardenia oxide
 geraniol
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 indole
 ionones
 labdanum resinoid
 methyl acetophenone
para-methyl anisole
 methyl cedryl ketone
 methyl ionones
 methyl isoeugenol
beta-naphthyl ethyl ether
 nonanal
 nonanol
 oakmoss absolute
 orris pyridine
 patchouli ethanone
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 rhodinol
 santall
 skatole
alpha-terpineol
 tobacco dodecane
 tonka bean absolute
 verymoss
 woody acetate
 woody amylene
 ylang ylang oil
(odor and/or flavor) used in :
 aldehydic
 animal
 apple blossom
 birch tar
 blue grass
 blue mist
 broom genet genista
 cade
 castoreum
 cherry blossom
 civet
 daffodil narcissus
 fagonia
 fecal
 floral
 flouve
 honey miel
 hyacinth jacinthe
 jasmin
 leather
 lilac lilas syringa
 lily
 narcissus narcisse
 privet blossom
 stock evening scented stock
 sweet pea pois de senteur
 wallflower giroflee
 white shoulders
 woodruff asperula
 ylang ylang cananga
natural occurrence in :
cananga
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 0.10%
wallflower
ylang ylang



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