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
cas number :104-93-8
(EINECS) number :203-253-7
beilstein number :1237336
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 (IUPAC)
formula :C8 H10 O
NMR Predictor :Predict
 
 
export tariff code :2909.30.0000
fda reg :172.515

Suppliers :
BASF :p-Cresol methyl ether
≥ 98% (CGC)
Odor:  Pungent sweet, ylang, almond
Berje :Methyl Para Cresol
Inoue :P-CRESYL METHYL ETHER
John D. Walsh :para-Cresyl Methyl Ether
Moellhausen :methyl p-cresol
98% min. nature identical kosher
Odor:  floreal,camphoraceous, phenolic, in dilution Ylang Ylang, cananga
Flavor:  camphoraceous, woody, phenolic, fresh
Penta :p-cresyl methyl ether
Sigma-Aldrich-SAFC :p-Methyl anisole
≥99%, FCC, Kosher
Odor:  cedar; sweet; vanilla; camphoraceous
Symrise :Cresyl methyl ether para
Odor:  strong of leather with nuances, reminiscent of p-Cresol
Flavor:  vanilla-, chocolate-, nut-like, slightly phenolic
Ungerer :Methyl p-Cresol
Vigon :Cresyl Methyl Ether para
FCC
Odor:  PUNGENT, YLANG YLANG

organoleptics :
odor type :naphthyl
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in dipropylene glycol.  
naphthyl cresol ylang powdery nutty
odor sample from :Ungerer & Company, Inc.
substantivity :8  Hour(s)

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.96700 to 0.96900 @ 25.00 °C.
pounds per gallon - calc. : 8.046 to 8.063
refractive index :1.51200 to 1.51400 @ 20.00 °C.
boiling point : 174.00 °C. @ 760.00 mm Hg
vapor pressure :1.14000 mm/Hg @ 25.00 °C.
flash point : 128.00  °F.  TCC  ( 53.33 °C. )
logP (o/w) : 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.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 2 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat   [sex: M,F]  1920.00  mg/kg
(Wong & Hart, 1971)

Intraperitoneal-Mouse    >500.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
FCTXAV  12,393,1974

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.49 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :15.00 (μg/capita/day)
 
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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
NLM Hazardous Substances Data Bank :search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :1
 
 
 
 1-methoxy-4-methylbenzene
(EINECS) number :203-253-7
RTECS :BZ8780000 for 104-93-8
chemidplus :000104938
EPA Substance Registry Services :104-93-8
dtp/nci :6254

references :
 1-methoxy-4-methylbenzene
fl. number :04.015
jecfa number :1243
NIST Chemistry WebBook :338690916
pubchem :150821

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1996)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
synonyms :
para-cresol methyl ether
para-cresyl methyl ether
1-methoxy-4-methyl benzene
1-methoxy-4-methylbenzene
4-methoxytoluene
para-methoxytoluene
 methyl 4-methyl phenyl ether
4-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
 benzaldehyde propylene glycol acetal
 benzoin resinoid
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl isoeugenol
 benzyl methyl ether
 benzyl propionate
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
isobutyl quinoline
isobutyl salicylate
 carrot seed oil
 cassia bark oil
 cedarwood oils
 champaca absolute
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 coumarin
para-cresol
para-cresyl acetate
para-cresyl caprylate
para-cresyl isobutyrate
para-cresyl phenyl acetate
para-cresyl phenyl ether
 cuminaldehyde
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 diethyl succinate
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl salicylate
 dodecanal
 ethyl laurate
 ethyl ortho-anisate
 ethyl phenyl acetate
 eugenol
 fir balsam absolute
 floral pyranol
 frankincense oil
 geraniol
 geranyl benzoate
 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
 lilac pentanol
 lily absolute
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 magnolia indene
 methyl acetophenone
 methyl anthranilate
 methyl benzoate
 methyl cedryl ketone
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 muguet carboxaldehyde
 musks
 myrrh oil
 narcissus acetate
 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
 prenyl benzoate
 reseda acetal
 rhodinol
 rose butanoate
 santall
 tea acetate
alpha-terpineol
 terpinyl benzoate
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 tuberose absolute
 tuberose absolute concrete
 tuberose acetate
 vanilla absolute
 verymoss
 vetiver oil
 wallflower absolute
 woody acetate
 woody amylene
2,5-xylenol
 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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