dihydroanethol
Notes:
Partial replacement for safrol and root beer types.
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Fragrance Demo Formulas
1-methoxy-4-propylbenzene (Click)
CAS Number: 104-45-0
ECHA EINECS - REACH Pre-Reg: 203-203-4
FDA UNII:932XJ1O77X
Nikkaji Web: J22.133C
Beilstein Number: 2042121
MDL: MFCD00027121
FEMA Number: 2930
CoE Number: 11835
XlogP3: 3.50 (est)
Molecular Weight: 150.22078000
Formula: C10 H14 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
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
JECFA Food Flavoring: 1244  p-propylanisole
Flavis Number: 04.039 (Old)
DG SANTE Food Flavourings: 04.039  1-methoxy-4-propylbenzene
FEMA Number: 2930  p-propylanisole
FDA Mainterm: P-PROPYLANISOLE
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.
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Physical Properties:
Appearance: colorless to pale yellow clear oily liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: Yes
Boiling Point: 212.00 to  216.00 °C. @ 760.00 mm Hg
Boiling Point: 104.00 to  107.00 °C. @ 20.00 mm Hg
Vapor Pressure: 0.266000 mm/Hg @ 25.00 °C. (est)
Flash Point: 194.00 °F. TCC ( 90.00 °C. )
logP (o/w): 3.660 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
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Organoleptic Properties:
Odor Type: anisic
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
sweet anise licorice sassafrass fennel
Substantivity: 4 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety Information:
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
  R 36/38 - Irritating to skin and eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Human Experience: 6 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
  oral-rat LD50  [sex: M,F] 4400 mg/kg
(Taylor et al., 1964)

oral-rat LD50  [sex: M,F] 4400 mg/kg
(Jenner et al., 1964)

oral-rat LD50  [sex: M,F] 4400 mg/kg
(Bär & Griepentrog, 1967)

oral-mouse LD50  7300 mg/kg
(Jenner et al., 1964)

oral-mouse LD50  7300 mg/kg
SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE SKIN AND APPENDAGES (SKIN): HAIR: OTHER SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-rat LD50  4400 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964.

Dermal Toxicity:
  skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 789, 1975.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for dihydroanethol usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 20.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 114.00 (μg/capita/day)
Structure Class: III
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: -67.00000
beverages(nonalcoholic): -4.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -9.90000
fruit ices: -9.90000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -64.00000
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
Toxicology Citations: Search
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 104-45-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7702
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3082
WGK Germany:2
 1-methoxy-4-propylbenzene
Chemidplus: 0000104450
RTECS: BZ9450000 for cas# 104-45-0
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References:
 1-methoxy-4-propylbenzene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 104-45-0
Pubchem (cid): 7702
Pubchem (sid): 134972876
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
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB32626
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 acetophenoneFL/FR
2-acetyl furanFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl phenyl acetateFL/FR
 amyris wood oilFL/FR
(E)-anetholFL/FR
para-anisaldehydeFL/FR
 anise seed oil colombiaFL/FR
 anisoleFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 pimenta acris leaf oilFL/FR
siam benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl propionateFL/FR
blood orange oil italyFL/FR
 bois de rose oil brazilFL/FR
 caramel furanoneFL
 carum carvi fruit oilFL/FR
 daucus carota fruit oilFL/FR
 carvoneFL/FR
laevo-carvoneFL/FR
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
 ethyl cinnamateFL/FR
 ethyl heptanoateFL/FR
 ethyl vanillinFL/FR
sweet fennel seed oilFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl diethyl acetalFR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 lavender absolute bulgariaFL/FR
 leerallFR
 lilyallFR
 linalool oxideFL/FR
 maltolFL/FR
 methyl 2-methyl valerateFL/FR
 methyl dihydrojasmonateFL/FR
 mimosa absolute franceFL/FR
 nonanolFL/FR
(Z)-6-nonenalFL/FR
 ocean propanalFL/FR
 patchouli ethanoneFR
black pepper oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 santallFR
 spearmint oil americaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
para-tolualdehydeFL/FR
 tonka bean absoluteFR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillinFL/FR
 wintergreen oilFL/FR
(Z)-woody amyleneFR
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Potential Uses:
 absinthe 
 acacia cassie farnesianaFR
 aniseFR
 apple blossomFR
 apricotFR
 azzaro 
 basilFL/FR
 birch beerFL
 blueberryFR
 carnation dianthus oeilletFR
 cattle feed 
 cheese gouda 
 cherryFR
 clover trefle le'trefle incarnatFR
 detergents 
 fennelFL/FR
 fern fougereFR
 gardeniaFR
 gooseberryFR
 hay new mown hay foin coupeFR
 heliotropeFR
 herbalFR
 honey mielFR
 honeysuckle chevrefeuilleFR
 hyacinth jacintheFR
 jasminFR
 licoriceFR
 lilac lilas syringaFR
 lilyFR
 magnoliaFR
 metropolis 
 mimosaFR
 mintFR
 myrrhis odorata 
 nutFL
 pizzaFR
 quinceFR
 root beerFR
 sassafrasFR
 spiceFR
 strawberryFR
 tuberoseFR
 tuscany 
 vanillaFR
 violetFR
 wallflowerFR
 wintergreenFR
 woodyFR
 ylang ylangFR
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Natural Occurrence in: note
 bonito mushrooms
 capparis spinosa
GRIN Trop Picture
 katsubushi
 mentha rotundifolia
GRIN Trop Picture
 pimpinella anisum
GRIN Trop Picture
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Synonyms:
 anisole, 4-propyl-
 benzene, 1-methoxy-4-propyl-
 dihydro anethol
 dihydro anethole
 dihydroanethole
 dihydroanethole FCC
1-methoxy-4-propyl benzene
1-methoxy-4-propylbenzene
 methyl 4-propylphenyl ether
 methyl p-propyl phenyl ether
 methyl p-propylphenyl ether
 methyl para-propyl phenyl ether
4-propyl anisole
4-N-propyl anisole
p-propyl anisole
para-propyl anisole
para-N-propyl anisole
4-propyl methoxybenzene
p-propyl methoxybenzene
para-propyl methoxybenzene
4-propylanisole
4-N-propylanisole
p-propylanisole
p-N-propylanisole
para-propylanisole
p-propylmethoxybenzene
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Similar Items: note
anethol
(E)-anethol
(Z)-anethol
Soluble in:
 alcohol
 fixed oils
 water, 63.36 mg/L @ 25 °C (est)
Insoluble in:
 glycerin
 propylene glycol
 water
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