para-methyl anisole
 
Notes:
Isol. from ylang-ylang, cananga and other essential oils. Also present in tomato and Camembert cheese. Flavouring ingredient
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Fragrance Demo Formulas    Flavor Demo Formulas
1-methoxy-4-methylbenzene (Click)
CAS Number: 104-93-8Picture of molecule
Other: 1071687-44-9
ECHA EINECS - REACH Pre-Reg: 203-253-7
FDA UNII:10FAI0OR9W
Nikkaji Web: J10.114A
Beilstein Number: 1237336
MDL: MFCD00008413
FEMA Number: 2681
CoE Number: 188
XlogP3: 2.70 (est)
Molecular Weight: 122.16690000
Formula: C8 H10 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Perfumer and Flavorist: Search
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PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1243  p-methylanisole
Flavis Number: 04.015 (Old)
DG SANTE Food Flavourings: 04.015  1-methoxy-4-methylbenzene
FEMA Number: 2681  p-methylanisole
FDA Mainterm: P-METHYLANISOLE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: Yes
Specific Gravity: 0.96700 to 0.96900 @  25.00 °C.
Pounds per Gallon - (est).: 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: 2.029000 mm/Hg @ 25.00 °C. (est)
Flash Point: 128.00 °F. TCC ( 53.33 °C. )
logP (o/w): 2.609 (est)
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.
Soluble in:
 alcohol
 dipropylene glycol
 fixed oils
 water, 527.1 mg/L @ 25 °C (est)
Insoluble in:
 glycerin
 propylene glycol
 water
Stability:
 non-discoloring in most media
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Organoleptic Properties:
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
Substantivity: 8 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety Information:
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/Parenteral Toxicity:
  oral-rat LD50  [sex: M,F] 1920 mg/kg
(Wong & Hart, 1971)

intraperitoneal-mouse LD  > 500 mg/kg
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 214, 1954.

oral-rat LD50  1920 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 393, 1974.

Dermal Toxicity:
  skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 393, 1974.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for para-methyl anisole usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 15.00 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -7.60000
beverages(nonalcoholic): -2.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -2.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.70000
fruit ices: -2.70000
gelatins / puddings: 0.500004.00000
granulated sugar: --
gravies: --
hard candy: -4.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000
View page or View pdf
Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010)
View page or View pdf
Scientific Opinion on the safety and efficacy of aromatic ethers including anisole derivatives (chemical group 26) when used as feed additives for all animal species
View page or View pdf
EPI System: View
NLM Hazardous Substances Data Bank: Search
Cancer Citations: Search
Toxicology Citations: Search
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 104-93-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7731
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1993
WGK Germany:1
 1-methoxy-4-methylbenzene
Chemidplus: 0000104938
RTECS: BZ8780000 for cas# 104-93-8
Synonyms   Articles   Notes   Search   Top
References:
 1-methoxy-4-methylbenzene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 104-93-8
Pubchem (cid): 7731
Pubchem (sid): 134970835
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB32076
FooDB: FDB008791
Export Tariff Code: 2909.30.6000
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Formulations/Preparations:
grades: fcc; technical.
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
 dodecanal (aldehyde C-12 lauric)FL/FR
amber
 cistus ladaniferus resinoidFR
animal
isobutyl quinolineFR
isobutyl quinolineFR
para-cresyl caprylateFL/FR
para-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
anisic
para-anisaldehydeFL/FR
balsamic
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
laevo-bornyl acetateFL/FR
isobornyl acetateFL/FR
isobornyl formateFL/FR
isobutyl cinnamateFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
dextro-fenchoneFL/FR
 fir balsam absoluteFR
 geranyl benzoateFL/FR
 myrrh oilFL/FR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
 prenyl benzoateFL/FR
 terpinyl benzoateFR
camphoreous
 bornyl isobutyrateFL/FR
beta-homocyclocitralFL/FR
 fencholFL/FR
laevo-fenchoneFL/FR
chemical
 styralyl alcoholFL/FR
citrus
 bergamot oilFL/FR
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
earthy
(-)-alpha-fencholFL/FR
floral
 acetophenoneFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 benzaldehyde propylene glycol acetalFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 champaca absoluteFR
 citronellolFL/FR
 coriander seed oilFL/FR
para-cresyl acetateFL/FR
para-cresyl phenyl ether 
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl ortho-anisateFL/FR
 ethyl phenyl acetateFL/FR
 floral pyranolFR
 geraniolFL/FR
 hawthorn carbinolFL/FR
 heliotropinFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 lilac pentanolFL/FR
 lily flower absoluteFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 magnolia indeneFR
para-methyl acetophenoneFL/FR
 methyl dihydrojasmonateFL/FR
 muguet carboxaldehydeFR
 narcissus acetateFL/FR
 nerolFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 reseda acetalFR
 rhodinolFL/FR
 rose butanoateFL/FR
 tea acetateFR
 tetrahydrolinaloolFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
 tuberose acetateFR
 wallflower absoluteFR
 ylang ylang flower oilFL/FR
fruity
 benzaldehydeFL/FR
 benzyl methyl etherFL/FR
 benzyl propionateFL/FR
 cherry oxyacetateFL/FR
 diethyl succinateFL/FR
 methyl anthranilateFL/FR
green
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
hay
 hay absoluteFR
herbal
 clary sage oil franceFL/FR
 daucus carota fruit oilFL/FR
 geranic oxideFL/FR
 hyssop oilFL/FR
 linalyl acetateFL/FR
 methyl ortho-anisateFL/FR
 nopyl acetateFR
mentholic
laevo-mentholFL/FR
 peppermint cyclohexanoneFL/FR
mossy
 veramoss (IFF)FR
phenolic
para-cresolFL/FR
 methyl benzoateFL/FR
2,5-xylenolFL/FR
powdery
para-anisyl alcoholFL/FR
spicy
 benzyl isoeugenolFL/FR
4-carvomenthenolFL/FR
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
 cuminaldehydeFL/FR
 eugenolFL/FR
 methyl isoeugenolFL/FR
terpenic
 frankincense oilFL/FR
para-menthatriene 
alpha-terpineolFL/FR
thujonic
 armoise oilFR
tonka
 coumarinFR
 tonka bean absoluteFR
vanilla
 vanilla bean absolute (vanilla planifolia)FL/FR
waxy
 ethyl laurateFL/FR
woody
 campheneFL/FR
(+)-campheneFL/FR
 cistus twig/leaf oilFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 methyl cedryl ketoneFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 santallFR
 santalyl acetateFL/FR
 tobacarol (IFF)FR
 vetiver oil haitiFL/FR
 woody acetateFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 bornyl isobutyrateFL/FR
(+)-campheneFL/FR
 cistus twig/leaf oilFL/FR
 ethyl ortho-anisateFL/FR
 geranyl benzoateFL/FR
 methyl ortho-anisateFL/FR
 narcissus acetateFL/FR
 prenyl benzoateFL/FR
animal
para-cresyl caprylateFL/FR
aromatic
para-cresyl acetateFL/FR
para-cresyl isobutyrateFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
 myrrh oilFL/FR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
camphoreous
 campheneFL/FR
 fencholFL/FR
(-)-alpha-fencholFL/FR
laevo-fenchoneFL/FR
 geranic oxideFL/FR
chemical
 styralyl alcoholFL/FR
cherry
 heliotropinFL/FR
citrus
 bergamot oilFL/FR
laevo-linaloolFL/FR
 linaloolFL/FR
 nerolFL/FR
alpha-terpineolFL/FR
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
cooling
isobutyl salicylateFL/FR
4-carvomenthenolFL/FR
beta-homocyclocitralFL/FR
dextro-fenchoneFL/FR
laevo-mentholFL/FR
creamy
para-anisaldehydeFL/FR
para-methyl acetophenoneFL/FR
floral
 bois de rose oil brazilFL/FR
 citronellolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 linalyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
 tetrahydrolinaloolFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
 ylang ylang flower oilFL/FR
fruity
para-anisyl alcoholFL/FR
 benzaldehydeFL/FR
 benzaldehyde propylene glycol acetalFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl methyl etherFL/FR
 benzyl propionateFL/FR
 cherry oxyacetateFL/FR
para-cresyl phenyl ether 
 diethyl succinateFL/FR
 dimethyl anthranilateFL/FR
 lilac pentanolFL/FR
 methyl anthranilateFL/FR
 rose butanoateFL/FR
green
isoamyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 linalool oxideFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
isophoroneFL
herbal
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 daucus carota fruit oilFL/FR
 hyssop oilFL/FR
honey
 ethyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
mentholic
 peppermint cyclohexanoneFL/FR
musty
2,5-xylenolFL/FR
phenolic
para-cresolFL/FR
para-cresyl phenyl acetateFL/FR
 methyl benzoateFL/FR
powdery
 acetophenoneFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
 benzyl isoeugenolFL/FR
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
 cuminaldehydeFL/FR
 eugenolFL/FR
 hawthorn carbinolFL/FR
 methyl isoeugenolFL/FR
terpenic
para-menthatriene 
tropical
alpha-amyl cinnamaldehydeFL/FR
vanilla
 vanilla bean absolute (vanilla planifolia)FL/FR
waxy
 ethyl laurateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
woody
 amyris wood oilFL/FR
isobornyl acetateFL/FR
isobornyl formateFL/FR
 frankincense oilFL/FR
 guaiacwood oilFL/FR
 methyl cedryl ketoneFL/FR
 patchouli oilFL/FR
 santalyl acetateFL/FR
 vetiver oil haitiFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 burberry 
 champaca champakFR
 cherry blossomFR
 currant blackFR
 floralFR
 genet genista broomFR
 grapeFR
 hay new mown hay foin coupeFR
 hyacinth jacintheFR
 jasminFR
 jonquil narcissus jonquillaFR
 lilac lilas syringaFR
 lilyFR
 mulberryFR
 narcissus narcisseFR
 nutFL
 nut walnutFL
 roseFR
 sandalwoodFR
 tide 
 tuberoseFR
 wallflowerFR
 wisteria wistaria glycineFR
 ylang ylangFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 cananga
Search Trop  Picture
 cananga odorata oil java @ 2.14%
Data  GC  Search Trop  Picture
 cananga oil china @ 2.05%
Data  GC  Search Trop  Picture
 champaca concrete @ trace%
Data  GC  Search Trop  Picture
 cheese
Search  PMC Picture
 cheese gorgonzola cheese
Search  PMC Picture
 croton flavens l. (welensali) leaf oil curacao @ trace%
Data  GC  Search Trop  Picture
 hyacinthus orientalis absolute @ 0.01-0.02%
Data  GC  Search Trop  Picture
 lavender oil spike spain @ 0.009%
Data  GC  Search Trop  Picture
 tomato
Search Trop  Picture
 ylang ylang
Search Trop  Picture
 ylang ylang oil @ 0.34%
Data  GC  Search Trop  Picture
 ylang ylang oil CO2 extract @ 2.00%
Data  GC  Search Trop  Picture
 ylang ylang oil I (cananga odorata hook. f. and thomas.) @ 5.75%
Data  GC  Search Trop  Picture
 ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 1.19%
Data  GC  Search Trop  Picture
 ylang ylang oil III @ 0.39%
Data  GC  Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 anisole, p-methyl-
 benzene, 1-methoxy-4-methyl-
p-cresol methyl ether
para-cresol methyl ether
p-cresyl methyl ether
para-cresyl methyl ether
p-cresyl methyl ether ( p – cresol )
p-cresyl methyl ether FCC
 cresyl methyl ether para
 cresyl methyl ether para FCC
1-methoxy-4-methyl benzene
1-methoxy-4-methyl-benzene
1-methoxy-4-methylbenzene
4-methoxytoluene
p-methoxytoluene
para-methoxytoluene
 methyl 4-methyl phenyl ether
 methyl 4-methylphenyl ether
4-methyl anisole
p-methyl anisole
para-methyl anisole
para-methyl cresol
 methyl p-cresol
o-methyl p-cresol
 methyl p-cresyl ether
 methyl p-methylphenyl ether
 methyl p-tolyl ether
 methyl para 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
 methyl-para-cresol
4-methylanisole
p-methylanisole
para-methylanisole
4-methylcresol
p-methylcresol
4-methylphenol methyl ether
 toluene, 4-methoxy-
p-tolyl methyl ether
para-tolyl methyl ether
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Noncovalent functionalization of graphene with a Ni(II) tetraaza[14]annulene complex.
PubMed: High resolution electronic spectroscopy of 4-methylanisole in the gas phase. Barrier height determinations for the methyl group torsional motion.
PubMed: Private channels in plant-pollinator mutualisms.
PubMed: Functionalization of the methylene bridges of the calix[6]arene scaffold.
PubMed: A concise synthesis of (+/-)-cacalol.
PubMed: Vibrations and theoretical calculations of p-methylanisole in the first electronically excited S1 and ionic ground D0 states.
PubMed: Orientational isomerism and binding ability of nonsymmetrical guests encapsulated in a self-assembling heterodimeric capsule.
PubMed: Total synthesis of (+/-)-herbertenolide by stereospecific formation of vicinal quaternary centers in a crystalline ketone.
PubMed: Individual solvent/solute interactions through social isomerism.
PubMed: Total synthesis of nucleobase-modified adenophostin A mimics.
PubMed: An assessment of the reaction energetics for cytochrome P450-mediated reactions.
PubMed: Odour-impact compounds of Gorgonzola cheese.
PubMed: Solubilization Site of Organic Perfume Molecules in Sodium Dodecyl Sulfate Micelles: New Insights from Proton NMR Studies.
PubMed: Inhibitory and noninhibitory monoclonal antibodies to human cytochrome P450 2E1.
PubMed: Studies on the mechanism of hepatotoxicity of 4-methylphenol (p-cresol): effects of deuterium labeling and ring substitution.
PubMed: Chloroperoxidase-catalyzed benzylic hydroxylation.
PubMed: Four-week toxicity study of 4-methoxytoluene in rats.
PubMed: Occurrence of aromatic methyl migration (NIH-shift) during oxidation of p-methylanisole by hemin-thiolester complex as a cytochrome P-450 model.
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