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benzyl methyl ether

Chemical Structure

General Material Information

Preferred name benzyl methyl ether
Trivial Name Benzyl methyl ether
Short Description (methoxymethyl)benzene
Formula C8 H10 O
CAS Number 538-86-3
Flavis Number 3.011
ECHA Number 208-705-7
FDA UNII F22RLS78BD
Nikkaji Number J45.676D
MDL MFCD00025901
COE Number 10910
NMR Predictor External link
Synonyms
  • benzene, (methoxymethyl)-
  • methoxymethyl benzene
  • methoxymethyl-benzene
  • ( methoxymethyl) benzene
  • ( methoxymethyl)benzene
  • 1-( methoxymethyl)benzene
  • methoxymethylbenzene
  • methoxyphenylmethane
  • a- methoxytoluene
  • alpha- methoxytoluene
  • methyl benzyl ether
  • Ether, benzyl methyl
  • (Methoxymethyl)benzene
  • α-Methoxytoluene
  • NSC 8058
  • 1-(Methoxymethyl)benzene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

methoxymethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:538-86-3
Pubchem (cid):10869
Pubchem (sid):134978420
Flavornet:538-86-3
Pherobase:View
Publications by PubMed
The floral scents of Nymphaea subg. Hydrocallis (Nymphaeaceae), the New World night-blooming water lilies, and their relation with putative pollinators.
Mechanism of the deprotonation reaction of alkyl benzyl ethers with n-butyllithium.
[Chemical constituents from aqueous extract of Gastrodia elata].
Visible light flavin photo-oxidation of methylbenzenes, styrenes and phenylacetic acids.
Structural elaboration of the surprising ortho-zincation of benzyl methyl ether.
Isolation and detection of steroids from human urine by molecularly imprinted solid-phase extraction and liquid chromatography.
Novel synthesis of methoxymethyl benzene by electrochemical coupling reaction of toluene with methanol in ionic liquid media.
Collision-induced loss of AgH from Ag+ adducts of alkylamines, aminocarboxylic acids and alkyl benzyl ethers leads exclusively to thermodynamically favored product ions.
Dibenzyl bromophenols with diverse dimerization patterns from the brown alga Leathesia nana.
A ring walk of methylene groups in toluene radical cations. An extension of the toluene-cycloheptatriene rearrangement of aromatic radical cations. Theory and experiment.
Volatile components of green walnut husks.
Isolation of 3-O-(4'-hydroxybenzyl)-beta-sitosterol and 4-[4'-(4"-hydroxybenzyloxy)benzyloxy]benzyl methyl ether from fresh tubers of Gastrodia elata.
On-Line Monitoring of the Photolysis of Benzyl Acetate and 3,5-Dimethoxybenzyl Acetate by Membrane Introduction Mass Spectrometry.
Mass spectral identification of the metabolites of alpha,alpha-dimethyl-4-(alpha,alpha,beta,beta-tetrafluorophenethyl)-benzylamine (MK-251), a novel antiarrhythmic agent, in various species.
Physiological disposition and metabolic fate of a new antiarrhythmic agent, alpha, alpha-dimethyl-4-(alpha, alpha, beta, beta-tetrafluorophenethyl) benzylamine in the rat, dog, monkey, baboon, and man.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
FooDB:FDB029661
Export Tariff Code:2909.30.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 122.16690063477
Specific gravity @ 25 °C
Pounds per Gallon 8.005 to 8.055
Refractive Index 1.498 to 1.504 @ 20 °C
Boiling Point 169 to 170°C @ 760 mm Hg
Vapor Pressure 1.5 mmHg @ 25 °C
Flash Point TCC Value 54.44 °C TCC
logP (o/w) 1.92
Solubility
alcohol Yes
water, 3000 mg/L @ 20 °C (exp) Yes
water No
Stability
detergent Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Fruity
fruity, ethereal, ylang, green, floral, hyacinth
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 10.00 % in dipropylene glycol. fruity ethereal ylang green floral hyacinth
Flavor Type: Fruity
fruity, ethereal, green, hyacinth, cortex, phenolic, foliage
Luebke, William tgsc, (1989) Fruity ethereal green hyacinth cortex phenolic foliage

Occurrences

Potential Uses

Applications
Odor purposes Floral, Hyacinth, Rose, Ylang ylang
Other purposes Topnotes
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for benzyl methyl ether usage levels up to:
5.0000 % in the fragrance concentrate.
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)
Structure Class: II
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
Chewing gum (05.3): --
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...

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)
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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 23, Revision 2 (FGE.23Rev2): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 22, 26 and 30
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 Flavouring Group Evaluation 23, Revision 4 (FGE.23Rev4): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 22, 26 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):538-86-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10869
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3271
WGK Germany:3
methoxymethylbenzene
Chemidplus:0000538863