benzyl methyl ether
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
Notes :
Blends well with green notes. Adds diffusion to topnotes. High % produces a powerful sweet-floral effect.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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) (PT) (112)
formula :C8 H10 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2909.30.0000
fda reg :unspecified

Suppliers :
Nanjing :Benzyl methyl ether
orders in chinese.
Penta :benzyl methyl ether
Pfaltz & Bauer :Benzyl Methyl Ether
TCI AMERICA :Benzyl Methyl Ether
>97.0%(GC)

organoleptics :
odor type :fruity
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
fruity ethereal ylang green floral hyacinth
Luebke, William tgsc, (1989)
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 :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.90 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3000 (μg/person/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
 
recommendation for benzyl methyl ether fragrance 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 (EFSA, 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 (EFSA, 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
Flavornet :538-86-3

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
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

potential blenders :    note
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde diisoamyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl tiglateFL
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehyde diethyl acetalFR
alpha-amyl cinnamyl alcoholFL/FR
 amyl formateFL/FR
isoamyl formateFL/FR
 amyl heptanoateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
para-anisyl alcoholFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 berry pentadienoateFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
isobutyl acetateFL/FR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
isobutyl formateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 champaca absoluteFR
 cherry pentenoateFL/FR
 chrysanthemum oxideFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl formateFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
 clary sage absoluteFL/FR
 cognac heptanoneFL/FR
para-cresyl caprylateFL/FR
para-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
gamma-damasconeFR
alpha-decalactoneFR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
 diethyl malonateFL/FR
 diethyl succinateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
(E,E)-2,4-dodecadien-1-olFR
 earthy acetalFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetateFL/FR
 ethyl acetoacetateFL/FR
2-ethyl butyl acetateFL/FR
2-ethyl butyraldehydeFL
 ethyl formateFL/FR
(E)-ethyl geranateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
 ethyl ortho-anisateFL/FR
 ethyl pyruvateFL/FR
2-ethyl-4-butanolFL/FR
 farnesyl acetateFL/FR
 fir carboxylateFR
 floral butanalFR
 furfuryl propionateFL
 galbanum ketoneFR
 geranium absoluteFL/FR
 geranium oil bourbonFL/FR
 geranyl acetoneFL/FR
 geranyl benzoateFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 geranyl isovalerateFL/FR
 grapefruit pentanolFR
 green dioxolaneFR
 green etherFL/FR
(E,E)-2,4-heptadien-1-olFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
2-heptenoic acidFL
 heptyl cinnamateFL/FR
 heptyl isobutyrateFL/FR
 hexanal diethyl acetalFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
1-hexen-3-yl acetate 
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl pivalateFR
 hexyl propionateFL/FR
 hyacinth absoluteFL/FR
 hyacinth butanalFR
 hyacinth etherFR
 hydroxycitronellal diethyl acetalFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 kewda absolute 
 kewda oil 
 leafy acetalFL/FR
 leather cyclohexanolFR
 lily propanolFR
 linalyl hexanoateFL/FR
 marine hexaneFR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL
 methyl 2-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl 3-nonenoateFL/FR
 methyl 4-pentenoateFL
 methyl acetateFL
2-methyl allyl butyrateFL
para-methyl anisoleFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl cyclocitroneFR
 methyl ethyl ketoneFL
(E)-methyl geranateFL/FR
 methyl heptanoateFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 methyl ortho-anisateFL/FR
 methyl R-3-acetoxyhexanoate 
S-(methyl thio) hexanoateFL
2-methyl valeraldehydeFL
 methyl valerateFL/FR
3-methyl valeric acidFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
4-methyl-4-phenyl pentanoneFR
 mimosa absolute franceFL/FR
 muguet carbinolFL/FR
 muguet undecadienalFR
 narcissus acetateFL/FR
 neroli bigarde oil franceFL/FR
 nerolidolFL/FR
 nerolidyl isobutyrateFR
 ocean propanal / methyl anthranilate schiff's baseFR
(E,E)-3,5-octadien-2-oneFL
 octanal dimethyl acetalFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 octyl oxyacetaldehydeFR
 papaya isobutyrateFL/FR
 peach pivalateFR
2-pentanoneFL/FR
(E)-2-penten-1-alFL/FR
(Z)-2-penten-1-olFL/FR
2-pentyl furanFL/FR
 phenethyl formateFL/FR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl salicylateFL/FR
 phenethyl tiglateFL/FR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde / methyl anthranilate schiff's baseFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
 phenyl glycol diacetateFR
2-phenyl propionaldehydeFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
2-phenyl propyl acetateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
2-phenyl propyl alcoholFL/FR
3-phenyl propyl alcoholFL/FR
3-phenyl propyl formateFL/FR
 phenyl propyl phenyl acetateFL/FR
3-phenyl propyl propionateFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl benzoateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl acetateFL/FR
isopropyl butyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
isopropyl propionateFL/FR
 propylene acetalFL/FR
 reseda acetalFR
 rhubarb undecaneFR
 rose butanoateFL/FR
(Z)-rose oxideFL/FR
 rose pyranFR
 sorbyl isobutyrateFL/FR
 styralyl alcoholFL/FR
 styralyl formateFL/FR
 tea acetateFR
 terpinyl benzoateFR
 terpinyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 thiogeraniolFL/FR
(E)-tiglaldehydeFL/FR
 timber dioxolaneFR
 tricyclodecenyl acetateFR
 tricyclodecyl acetateFR
 tropical indeneFR
 tropical thiazoleFL/FR
 tuberose absolute concreteFL/FR
 tuberose absolute pommadeFL/FR
 tuberose acetateFR
isovaleraldehyde propylene glycol acetalFL/FR
 violet dienyneFR
 woody acetateFR

potential uses :
 floralFR
 hyacinth jacintheFR
 roseFR
 topnotes 
 ylang ylangFR

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



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 06/16/2010