anisole
methoxybenzene
 
Notes:
Flavouring agent Anisole is a precursor to perfumes, insect pheromones, and pharmaceuticals. For example, synthetic anethole is prepared from anisole.; Anisole undergoes electrophilic aromatic substitution reaction more quickly than does benzene, which in turn reacts more quickly than nitrobenzene. The methoxy group is an ortho/para directing group, which means that electrophilic substitution preferentially occurs at these three sites. The enhanced nucleophilicity of anisole vs benzene reflects the influence of the methoxy group, which renders the ring more electron-rich. The methoxy group strongly affects the pi cloud of the ring, moreso than the inductive effect of the electronegative oxygen.
  • Charkit Chemical
    • Charkit Chemical Corporation
      The Specialty Chemical Specialists
      Explore this website to discover the products and services that Charkit provides for your industry and please contact us directly to find out how we can be of service to you.
      Since 1982, Charkit has been committed to expanding the markets we serve and our roster of products and services continues to grow with us. Personal care ingredients now include a substantial array of luxury and exotic components. Substantial inroads have been made in the nutraceutical and resins markets, with a growing roster of versatile and unique ingredients. And we continue to lead the way in our traditional markets such as Metal and Water Treatment, Imaging, Flavor & Fragrance, Aroma and Food. Our Pharmaceutical offerings continue to expand, still anchored by the Boronic Derivatives that meet the demands of Suzuki coupling reactions.
      Email: Sales
      Voice: 203-299-3220
      Fax: 203-299-1355
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      Products List: View
      Product(s):
      ANISOLE
       
  • M&U International
    • M&U International LLC
      Steady supply & demand
      Meeting customers increasing demands at home as well as abroad.
      M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers. We warmly welcome your inquiries, come witness our solemn commitment for yourself.
      Email: Sales
      US Email: Sales
      Voice: +86-21-32515501 60762991 60762992
      Fax: +86-21-32515502 64204960
      US Voice: 908-359-9000
      US Fax: 908-359-9002
      News
      Product(s):
      N0006 NAT.ANISOLE, Kosher
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      01-37300 ANISOLE FCC, Kosher
       
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
      Email: Info
      Email: Sales
      Voice: +44 (0) 1284 704076
      Fax: +44 (0) 1284 760819
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      Product(s):
      ANISOLE
       
  • Sunaux International
    • Sunaux International
      Buy With Confidence
      We have industry leading processes and procedures to ensure nothing but the most reliable product.
      Sunaux International was founded in 2012 by the owner Mr.John Felton after spending 18 years involved in developing global business in the aromatic chemicals, fragrance and flavour compounds business.
      Email: John Felton
      Email: Stephen Zhou (Sales)
      Voice: 0512-57995626
      Fax: 0512-57570299
      Sales0512-57995626
      Sales0512-57570299
      News
      Product(s):
      N0006 nat.Anisole
       
Synonyms   Articles   Notes   Search
anisole (Click)
CAS Number: 100-66-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 202-876-1
FDA UNII: B3W693GAZH
Nikkaji Web: J4.012F
Beilstein Number: 0506892
MDL: MFCD00008354
CoE Number: 2056
XlogP3: 2.10 (est)
Molecular Weight: 108.13996000
Formula: C7 H8 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
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1241  anisole
Flavis Number: 04.032 (Old)
DG SANTE Food Flavourings: 04.032  anisole
FEMA Number: 2097  anisole
FDA Mainterm: ANISOLE
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.
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: Yes
Specific Gravity: 0.99200 @  25.00 °C.
Refractive Index: 1.51600 @  20.00 °C.
Melting Point: -38.00 to  -37.00 °C. @ 760.00 mm Hg
Boiling Point: 153.00 to  155.00 °C. @ 760.00 mm Hg
Vapor Pressure: 3.540000 mm/Hg @ 25.00 °C.
Vapor Density: 3.7 ( Air = 1 )
Flash Point: 125.00 °F. TCC ( 51.67 °C. )
logP (o/w): 2.110
Soluble in:
 alcohol
 ether
 water, 1040 mg/L @ 25 °C (exp)
Insoluble in:
 water
Stability:
 non-discoloring in most media
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: phenolic
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 phenolic  gasoline  ethereal  anise  
Odor Description:
at 1.00 % in dipropylene glycol. 
phenolic gasoline ethereal anise
Luebke, William tgsc, (1987)
Substantivity: 4 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
CG Herbals
Anisol
Odor: Powerful & Harsh, Yet Very Sweet
Charkit Chemical
ANISOLE
EMD Millipore
For experimental / research use only.
Anisole
Indenta Group
Anisole
Inoue Perfumery
ANISOLE
M&U International
NAT.ANISOLE, Kosher
Penta International
ANISOLE FCC, Kosher
Reincke & Fichtner
Anisole
Sigma-Aldrich
For experimental / research use only.
Anisole analytical standard
Solvay - Rhodia
Anisole
Odor: characteristic
Use: Solvent for a wide range of organic reactions (carbonylation, carboxylation.), co-solvant for paint stripper and synthesis intermediate for fine organics.
Solvay - Rhodia
Rhodiasolv® MPE XP
Odor: characteristic
Use: Special purified grade of anisole for electronics.
SRS Aromatics
ANISOLE
Odor: Phenolic, Gasoline, Ethereal, Anise
Sunaux International
nat.Anisole
TCI AMERICA
For experimental / research use only.
Anisole >99.0%(GC)
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Safety Information:
European information :
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 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
 
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:
oral-rat LD50  [sex: M,F] 3700 mg/kg
(Taylor et al., 1964)

oral-rat LD50  [sex: M,F] 3700 mg/kg
(Bär & Griepentrog, 1967)

oral-rat LD50  [sex: M,F] 3700 mg/kg
(Jenner et al., 1964)

oral-mouse LD50  2800 mg/kg
BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT
Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946.

oral-rat LD50  3700 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS KIDNEY, URETER, AND BLADDER: HEMATURIA
Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964.

intraperitoneal-rat LDLo  500 mg/kg
Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 > 5000 mg/m3
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 43, 1984.

inhalation-mouse LC50 3021 mg/m3/2H
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 43, 1984.

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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for anisole usage levels up to:
  0.6000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (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: -34.00000
beverages(nonalcoholic): -9.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -16.00000
fruit ices: -16.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -51.00000
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
EPI System: View
NIOSH International Chemical Safety Cards: search
NLM Hazardous Substances Data Bank: Search
Cancer Citations: Search
Env. Mutagen Info. Center: Search
NLM Developmental and Reproductive Toxicity: Search
EPA Substance Registry Services (TSCA): 100-66-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7519
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2222
WGK Germany: 2
 anisole
Chemidplus: 0000100663
EPA/NOAA CAMEO: hazardous materials
RTECS: 100-66-3
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References:
 anisole
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 100-66-3
Pubchem (cid): 7519
Pubchem (sid): 134972719
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
CHEBI: View
CHEMBL: View
Metabolomics Database: Search
KEGG (GenomeNet): C01403
HMDB (The Human Metabolome Database): HMDB33895
FooDB: FDB012090
Export Tariff Code: 2909.30.6000
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
2,6-diisopropyl phenolFL/FR
camphoreous
 cyclohexanolFL/FR
citrus
 neroli ketoneFR
phenolic
4-propyl phenolFL/FR
smoky
 birch tar oilFL/FR
 
For Flavor
 
No flavor group found for these
 birch tar oilFL/FR
 cyclohexanolFL/FR
2,4-dihydroxybenzoic acidFL
2,6-diisopropyl phenolFL/FR
meta-guaiacolFL
para-guaiacolFL
 phenyl acetateFL
4-propyl phenolFL/FR
4-propyl syringolFL
 
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Potential Uses:
 hawthornFR
 hay new mown hay foin coupeFR
 lilac lilas syringaFR
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Occurrence (nature, food, other): note
 aerangis appendiculata
Search Trop  Picture
 aeranthes grandiflora
Search Trop  Picture
 artemisia dracumculus car. turkestanica
Search Trop  Picture
 asterogyne martiana
Search Trop  Picture
 bollea coelestis
Search Trop  Picture
 brassavola digbyana
Search Trop  Picture
 brassia verucosa
Search Trop  Picture
 cattleya lawrenceana
Search Trop  Picture
 dendrobium chrysotoxum
Search Trop  Picture
 dracula chestertonii
Search Trop  Picture
 encyclia fragrans
Search Trop  Picture
 epidendrum lacertinum
Search Trop  Picture
 geonoma brongniartii
Search Trop  Picture
 ginger lily white ginger lily
Search Trop  Picture
 liparis viridiflora
Search Trop  Picture
 magnolia kobus
Search Trop  Picture
 mangrove bark red oil cuba @ 0.10%
Data  GC  Search Trop  Picture
 masdevallia glandulosa
Search Trop  Picture
 mushroom giant puffball mushroom
Search  PMC Picture
 nigritella nigra
Search Trop  Picture
 raspberry red raspberry
Search Trop  Picture
 rosa chinensis
Search Trop  Picture
 sauromatum guttatum
Search Trop  Picture
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Synonyms:
 anisol
nat.anisole
 anisole FCC
 benzene, methoxy-
 ether, methyl phenyl
 methoxy benzene
 methoxybenzene
4-methoxybenzene
 methyl phenyl ether
 phenol methyl ether
 phenoxymethane
 phenyl methyl ether
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Effects of grape seed extract on the oxidative and microbial stability of restructured mutton slices.
PubMed: Antioxidant property of Decalepis hamiltonii Wight & Arn.
PubMed: Determination of the odor threshold concentrations of chlorobrominated anisoles in water.
PubMed: Rapid odor perception in rat olfactory bulb by microelectrode array.
PubMed: Determination of odorous mixed chloro-bromoanisoles in water by solid-phase micro-extraction and gas chromatography-mass detection.
PubMed: Determination of the odor threshold concentrations of chlorobrominated anisoles in water.
PubMed: Volatile methoxybenzene compounds in grains with off-odors.
PubMed: Odor response properties of rat olfactory receptor neurons.
PubMed: Odor coding properties of frog olfactory cortical neurons.
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