para-methyl anisole
 
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IUPAC name :1-methoxy-4-methylbenzene
InChI :InChI=1/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChIKey :CHLICZRVGGXEOD-UHFFFAOYAW
SMILES :CC1=CC=C(C=C1)OC
(EINECS) number :203-253-7
cas number :104-93-8
fema number :2681
coe number :188
jecfa number :1243
fl. number :04.015
molar refractivity :37.75 ± 0.3 cm3
parachor :301.5 ± 4.0 cm3
index of refraction :1.493 ± 0.02
surface tension :29.2 ± 3.0 dyne/cm
density :0.941 ± 0.06 g/cm3
polarizability :14.96 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 122.1644000
formula :C8 H10 O
 
 
fda reg :172.515 h. number :2909.30.0000
organoleptics : 
odor type :naphthyl
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
naphthyl cresol ylang powdery nutty
taste description³ :at 20.00 ppm.  
Naphthyl, phenolic, camphoraceous, cooling and woody
substantivity :8  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.96700 - 0.96900 @ 25.00 °C.
pounds per gallon - calc. : 8.046 to 8.063
refractive index :1.51200 - 1.51400 @ 20.00 °C.
boiling point : 174.00 °C. @ 760.00 mm Hg
logp : 2.66
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    1920.00  mg/kg  FCTXAV  12,393,1974
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  12,393,1974
  
flash point ( Deg. F. ) : 128.00  °F.  TCC  ( 53.33 °C. )
  
recommendation for para-methyl anisole usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for para-methyl anisole usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :203-253-7
rtecs :BZ8780000 for 104-93-8
chemidplus :000104938
epa-srs :104-93-8
dtp/nci :6254
  
other : 
  C of A
references : 
pubchem :150821
NIST Chemistry WebBook :338690916
  
reference : Mosciano, Gerard P&F 15, No. 3, 51, (1990)³
synonyms :
para-cresol methyl ether
para-cresyl methyl ether
1-methoxy-4-methyl benzene
4-methoxytoluene
para-methoxytoluene
 methyl 4-methyl phenyl ether
4-methyl anisole
para-methyl anisole
para-methyl cresol
ortho-methyl para-cresol
 methyl para-cresyl ether
 methyl para-methyl phenyl ether
 methyl para-tolyl ether
4-methyl phenol methyl ether
4-methyl-1-methoxybenzene
1-methyl-4-methoxybenzene
para-tolyl methyl ether
soluble in :
 alcohol
 dipropylene glycol
 fixed oils
 water, 670 mg/L @ 25C
insoluble in :
 glycerin
 propylene glycol
 water
stability :
 non-discoloring in most media
(odor and/or flavor) blends with :
 acetophenone
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
para-anisaldehyde
para-anisyl alcohol
 armoise oil
 benzoin resinoid
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl isoeugenol
 benzyl propionate
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
isobutyl salicylate
 carrot seed oil
 cassia bark oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 coumarin
para-cresyl caprylate
 cuminaldehyde
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dodecanal
 ethyl laurate
 ethyl phenyl acetate
 eugenol
 fir balsam absolute
 floral pyranol
 frankincense oil
 geraniol
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 labdanum resinoid
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 methyl acetophenone
 methyl anthranilate
 methyl benzoate
 methyl cedryl ketone
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 muguet carboxaldehyde
 musks
 myrrh oil
 nerol
gamma-nonalactone
 nopyl acetate
 patchouli ethanone
 patchouli oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl phenyl acetate
 phenyl acetaldehyde
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
 rhodinol
 rose butanoate
 santall
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 vanilla absolute
 verymoss
 vetiver oil
 woody acetate
 woody amylene
 ylang ylang oil
(odor and/or flavor) used in :
 broom genet genista
 burberry
 champaca champak
 cherry blossom
 currant black currant
 floral
 grape
 hay new mown hay foin coupe
 hyacinth jacinthe
 jasmin
 jonquil narcissus jonquilla
 lilac lilas syringa
 lily
 mulberry
 narcissus narcisse
 nut
 nut walnut
 rose
 sandalwood
 tide
 tuberose tubereuse
 wallflower giroflee
 wistaria wisteria glycine
 ylang ylang cananga
natural occurrence in :
cananga
data pagecananga oil china @ 2.05%
data pagechampaca concrete @ trace%
cheese
cheese gorgonzola cheese
data pagecroton flavens l. (welensali) leaf oil curacao @ trace%
data pagelavender oil spike spain @ 0.009%
tomato
ylang ylang
data pageylang ylang oil @ 0.34%
data pageylang ylang oil CO2 extract @ 2.00%
data pageylang ylang oil I (cananga odorata hook. f. and thomas.) @ 5.75%
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 1.19%
data pageylang ylang oil III @ 0.39%



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