benzyl methyl ether
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Notes :
Blends well with green notes. Adds diffusion to topnotes. High % produces a powerful sweet-floral effect.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :methoxymethylbenzene
InChI :InChI=1/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey :GQKZBCPTCWJTAS-UHFFFAOYAD
SMILES :COCC1=CC=CC=C1
cas number :538-86-3
(EINECS) number :208-705-7
coe number :10910
fl. number :03.011
molar refractivity :37.54 ± 0.3 cm3
parachor :303.5 ± 4.0 cm3
index of refraction :1.495 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :0.949 ± 0.06 g/cm3
polarizability :14.88 ± 0.5 10-24cm3
XlogP : 1.70
XlogP3 : 1.90
molecular weight : 122.1644000 (IUPAC)
formula :C8 H10 O
NMR Predictor :Predict
 
 
export tariff code :2909.30.0000
fda reg :unspecified

Suppliers :
Nanjing :Benzyl methyl ether
Nanjing :Benzyl Methyl Ether
>97.0%(GC)
Penta :benzyl methyl ether
Pfaltz & Bauer :Benzyl Methyl Ether

organoleptics :
odor type :fruity
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
fruity ethereal ylang green floral hyacinth
odor sample from :Givaudan Corporation
substantivity :4  Hour(s)

properties :
appearence :pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95800 to 0.96500 @ 25.00 °C.
pounds per gallon - calc. : 7.972 to 8.030
refractive index :1.49800 to 1.50500 @ 20.00 °C.
boiling point : 170.00 °C. @ 760.00 mm Hg
vapor pressure :1.50000 mm/Hg @ 25.00 °C.
flash point : 130.00  °F.  TCC  ( 54.44 °C. )
logP (o/w) : 1.92

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.90 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3200 (μg/person/day)
Threshold of concern :540 (μg/person/day)
 
recommendation for benzyl methyl ether usage levels up to :
  5.0000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0) : 3.0000015.00000
Processed fruit (04.1) : 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 3.0000015.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 15.0000075.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000

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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3271
 
WGK Germany :3
 
 
 
 methoxymethylbenzene
(EINECS) number :208-705-7
chemidplus :000538863
EPA Substance Registry Services :538-86-3
dtp/nci :8058

references :
 methoxymethylbenzene
fl. number :03.011
NIST Chemistry WebBook :2588374133
pubchem :154173

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1989)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 methoxymethyl benzene
(methoxymethyl) benzene
 methoxymethylbenzene
alpha-methoxytoluene
 methyl benzyl ether

soluble in :
 alcohol
 water, 3000 mg/L @ 20C

insoluble in :
 water

stability :
 detergent
 soap

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde diisoamyl acetal
 acetaldehyde ethyl phenethyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl tiglate
isoamyl 3-(2-furan) propionate
 amyl benzoate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
alpha-amyl cinnamyl alcohol
 amyl formate
isoamyl formate
 amyl heptanoate
 amyl hexanoate
isoamyl isovalerate
isoamyl octanoate
para-anisyl alcohol
 anisyl propanal / methyl anthranilate schiff's base
 berry pentadienoate
 buchu mercaptan
 butyl 2-methyl butyrate
isobutyl acetate
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
isobutyl formate
 butyl isobutyrate
isobutyl propionate
 champaca absolute
 cherry pentenoate
 chrysanthemum oxide
 cinnamyl alcohol
 cinnamyl formate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 citrus carbaldehyde / methyl anthranilate schiff's base
 clary sage absolute
 cognac heptanone
para-cresyl caprylate
para-cresyl isobutyrate
para-cresyl phenyl acetate
 cumin carbinol
 cuminyl acetaldehyde
beta-cyclocitral
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
3-decen-2-one
9-decenoic acid
 diethyl malonate
 diethyl succinate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl salicylate
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
 earthy acetal
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-benzyl butyrate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetate
 ethyl acetoacetate
2-ethyl butyl acetate
2-ethyl butyraldehyde
 ethyl formate
(E)-ethyl geranate
 ethyl hydrocinnamate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
 ethyl ortho-anisate
 ethyl pyruvate
2-ethyl-4-butanol
 farnesyl acetate
 fir carboxylate
 floral butanal
 furfuryl propionate
 galbanum ketone
 geranium absolute
 geranium oil
 geranyl acetone
 geranyl benzoate
 geranyl formate
 geranyl isobutyrate
 geranyl isovalerate
 grapefruit pentanol
 green dioxolane
 green ether
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
2-heptenoic acid
 heptyl cinnamate
 heptyl isobutyrate
 hexanal diethyl acetal
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl phenyl acetate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 hyacinth absolute
 hyacinth butanal
 hyacinth ether
 hydroxycitronellal diethyl acetal
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
 jonquil absolute
 kewda absolute
 kewda oil
 leafy acetal
 leather cyclohexanol
 lily propanol
 linalyl hexanoate
 marine hexane
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
 methyl acetate
2-methyl allyl butyrate
para-methyl anisole
2-methyl butyl 2-methyl butyrate
 methyl cyclocitrone
 methyl ethyl ketone
(E)-methyl geranate
 methyl heptanoate
para-methyl hydratropaldehyde
 methyl octine carbonate
 methyl R-3-acetoxyhexanoate
S-(methyl thio) hexanoate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
4-methyl-4-phenyl pentanone
 mimosa absolute
 muguet carbinol
 muguet undecadienal
 narcissus acetate
 neroli oil
 nerolidol
 nerolidyl isobutyrate
 ocean propanal / methyl anthranilate schiff's base
(E,E)-3,5-octadien-2-one
 octanal dimethyl acetal
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
 octyl oxyacetaldehyde
 papaya isobutyrate
 peach pivalate
2-pentanone
(E)-2-penten-1-al
(Z)-2-penten-1-ol
2-pentyl furan
 phenethyl formate
 phenethyl isopropyl ether
 phenethyl oxyacetaldehyde
 phenethyl salicylate
 phenethyl tiglate
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenoxyethyl isobutyrate
 phenyl acetaldehyde
 phenyl acetaldehyde / methyl anthranilate schiff's base
 phenyl acetaldehyde diisobutyl acetal
 phenyl acetaldehyde ethylene glycol acetal
 phenyl glycol diacetate
2-phenyl propionaldehyde
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
2-phenyl propyl acetate
(R)-2-phenyl propyl alcohol
2-phenyl propyl alcohol
3-phenyl propyl alcohol
3-phenyl propyl formate
 phenyl propyl phenyl acetate
3-phenyl propyl propionate
(E)-2-phenyl-1(2)-propene-1-yl acetate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl benzoate
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
isopropyl acetate
isopropyl butyrate
alpha-isopropyl phenyl acetaldehyde
isopropyl propionate
 propylene acetal
 reseda acetal
 rhubarb undecane
 rose butanoate
(Z)-rose oxide
 rose pyran
 sorbyl isobutyrate
 styralyl alcohol
 styralyl formate
 tea acetate
 terpinyl benzoate
 terpinyl isobutyrate
 tetrahydrofurfuryl butyrate
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecenyl acetate
 tricyclodecyl acetate
 tropical indene
 tropical thiazole
 tuberose absolute
 tuberose absolute concrete
 tuberose acetate
isovaleraldehyde propylene glycol acetal
 violet dienyne
 woody acetate

(odor and/or flavor) used in :
 floral
 hyacinth jacinthe
 rose
 topnotes
 ylang ylang cananga

natural occurrence in :
data pagechampaca concrete @ trace%
data pageketaki flower oil india @ 0.40%
rose oil bulgaria



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