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  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
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anisole

Chemical Structure

General Material Information

Preferred name anisole
Trivial Name Anisole
Short Description methoxybenzene
Formula C7 H8 O
CAS Number 100-66-3
FEMA Number 2097
Flavis Number 4.032
ECHA Number 202-876-1
FDA UNII B3W693GAZH
Nikkaji Number J4.012F
Beilstein Number 0506892
MDL MFCD00008354
COE Number 2056
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1241 anisole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 100-66-3 ; ANISOLE
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
  • NSC 7920
  • Hichemix MB

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

Google Scholar Start search
Google Books Start search
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Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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
FDA Substances Added to Food (formerly 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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 108.13996124268
Specific gravity @ 20 °C
Pounds per Gallon 8.289 to 8.339
Refractive Index 1.516 to 1.519 @ 20 °C
Melting Point -38 to -37°C @ 760 mm Hg
Boiling Point 153 to 155°C @ 760 mm Hg
Vapor Pressure 3.54 mmHg @ 25 °C
Vapor Density 3.7
Flash Point TCC Value 51.67 °C TCC
logP (o/w) 2.11
Solubility
alcohol Yes
ether Yes
water, 1040 mg/L @ 25 °C (exp) Yes
Stability
non-discoloring in most media Unspecified

Organoleptic Properties

Odor Type: Phenolic
phenolic, gasoline, ethereal, anise
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 1.00 % in dipropylene glycol. phenolic gasoline ethereal anise
Flavor Type: Aromatic
aromatic, acrylate, acetone, plastic
Luebke, William tgsc, (1987) Aromatic acrylate acetone plastic

Occurrences

Potential Uses

Applications
Odor purposes Hawthorn, Hay new mown hay, Lilac
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
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.

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 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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations: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