ortho-methyl anisole
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IUPAC name :1-methoxy-2-methylbenzene
InChI :InChI=1/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
InChIKey :DTFKRVXLBCAIOZ-UHFFFAOYAG
SMILES :CC1=CC=CC=C1OC
cas number :578-58-5
(EINECS) number :209-426-3
fema number :2680
coe number :187
jecfa number :1242
fl. number :04.014
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 : 2.20
molecular weight : 122.1644000 (IUPAC)
formula :C8 H10 O
NMR Predictor :Predict
 
 
export tariff code :3909.30
fda reg :172.515
Suppliers :
Penta :2-methyl anisole
SAFC Global® :2-Methyl anisole
≥99%, Kosher
Odor:  earthy; floral; walnut
organoleptics :
odor type :naphthyl
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		sweet nutty floral earthy walnut
odor description:
at 1.00 %.  		Naphthyl, camphoreous, phenolic and woody with a salicylate nuance
Mosciano, Gerard P&F 23, No. 3, 55, (1998)
taste description:
at 5.00 ppm.  		Camphoreous, earthy, woody and salicylate with minty, spicy nuances
Mosciano, Gerard P&F 23, No. 3, 55, (1998)
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98300 to 0.98600 @ 15.50 °C.
pounds per gallon - calc. : 8.180 to 8.205
refractive index :1.51800 to 1.52200 @ 15.30 °C.
boiling point : 170.00 to 172.00 °C. @ 760.00 mm Hg
boiling point : 63.00 to 64.00 °C. @ 14.00 mm Hg
vapor pressure :1.50000 mm/Hg @ 25.00 °C.
flash point : 125.00  °F.  TCC  ( 51.67 °C. )
logP (o/w) : 2.74
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
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 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :2.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.06 (μg/capita/day)
 
recommendation for ortho-methyl anisole fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for ortho-methyl anisole flavor usage levels up to :
  50.0000 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...
EPI System :view
Cancer Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 
1-methoxy-2-methylbenzene
(EINECS) number :209-426-3
chemidplus :000578585
EPA Substance Registry Services :578-58-5
dtp/nci :6253
references :
 
1-methoxy-2-methylbenzene
fl. number :04.014
jecfa number :1242
NIST Chemistry WebBook :1756580020
pubchem :197385
Flavornet :578-58-5
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
ortho-cresyl methyl ether
1-methoxy-2-methyl benzene
1-methoxy-2-methylbenzene
2-methoxytoluene
ortho-methoxytoluene
2-methyl anisole
2-methyl methoxybenzene
 methyl ortho-cresyl ether
2-methyl ortho-tolyl ether
soluble in :
 alcohol
 water, 450 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 acetyl acetaldehyde dimethyl acetalFL
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 allyl 2-ethyl butyrateFL
isoamyl nonanoateFL/FR
alpha-angelica lactoneFL/FR
 benzothiazoleFL
 bornyl isobutyrateFL/FR
 boronia butenalFR
 butyrophenoneFL/FR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coffee furanoneFL
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
 cyclohexyl methyl pyrazineFL
(E,E)-2,4-decadien-1-alFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dihydroxyacetophenoneFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2,4-dimethyl-5-vinyl thiazoleFL
 earthy acetalFL/FR
2-ethoxythiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
 hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
2-heptyl furanFL
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
4-hydroxybenzoic acidFL
(Z)-linalool oxide (furanoid)FL/FR
 maraniolCS
 menthofuranFL/FR
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL
 methyl cyclocitroneFR
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
2-methyl-4-phenyl butanalFL/FR
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadien-1-alFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
(Z)-2-octen-1-al 
 peanut dithiazineFL
 peanut oxazoleFL
 phenyl acetaldehyde 2,3-butylene glycol acetalFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
 popcorn pyrimidineFL/FR
 propionaldehydeFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 saffron pyranoneFR
 salicylic acidCS
 sandalwood oilFL/FR
 shoyu pyrazineFL/FR
 styralyl butyrateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5,6-tetramethyl pyrazineFL
 tobacco butenalFR
 tonka bean absoluteFR
 tonka bean resinoidFR
3,5,5-trimethyl hexanolFL/FR
2,3,5-trimethyl pyrazineFL
 tropical thiazoleFL/FR
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
potential uses :
 bread
 cherry
 coffee
 earth humus
 herbal
 nut filbert
 nut hazelnut
 nut walnut
 vanilla
natural occurrence in :    note
data pagecascarilla bark oil @ 0.02% S
 clam  
 coffee  
 filbert  
 katsuobushi  
 maize  
 rice wild rice  
data pagerue oil china @ 0.02% S

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