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dihydroanethol

Chemical Structure

General Material Information

Preferred name dihydroanethol
Trivial Name 4-Propylanisole
Short Description p-propylanisole
Formula C10 H14 O
CAS Number 104-45-0
FEMA Number 2930
Flavis Number 4.039
ECHA Number 203-203-4
FDA UNII 932XJ1O77X
Nikkaji Number J22.133C
Beilstein Number 2042121
MDL MFCD00027121
COE Number 11835
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1244 p-propylanisole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 104-45-0 ; P-PROPYLANISOLE
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
  • 1-methoxy-4-propylbenzene
  • Anisole, p-propyl-
  • p-Propylanisole
  • 4-Propylanisole
  • 4-n-Propylanisole
  • p-Propylphenol methyl ether
  • 4-Methoxy-1-propylbenzene
  • NSC 37996

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

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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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32626
FooDB:FDB010570
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 150.22077941895
Specific gravity @ 25 °C
Pounds per Gallon 7.822 to 7.847
Refractive Index 1.503 to 1.506 @ 20 °C
Boiling Point 212 to 213°C @ 760 mm Hg
Boiling Point 104 to 107°C @ 20 mm Hg
Vapor Pressure 0.266 mmHg @ 25 °C
Flash Point TCC Value 90 °C TCC
logP (o/w) 3.656 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
fixed oils Yes
water, 63.36 mg/L @ 25 °C (est) Yes
glycerin No
propylene glycol No
water No

Organoleptic Properties

Odor Type: Anisic
sweet, anise, licorice, sassafrass, fennel, licorice black licorice, herbal, root beer
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1993) At 10.00 % in dipropylene glycol. sweet anise licorice sassafrass fennel
Mosciano, Gerard P&F 25, No. 6, 26, (2000) At 1.00 % in ethyl alcohol. Intense, lingering sweet anise, licorice with an herbal fennel nuance. It is reminiscent of black cough drops and root beer
Flavor Type: Herbal
herbal, fennel, sweet, licorice black licorice, sassafrass, anise, spicy, basil
Mosciano, Gerard P&F 25, No. 6, 26, (2000) At 1.00 - 15.00 ppm. Intense herbal fennel sweetness reminiscent of black licorice, sassafras and anise. It has slight spicy basil-like nuances

Occurrences

Safety Information

Safety information

Preferred SDS: View
European 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.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 4), H227
Acute toxicity, Oral (Category 5), H303
Acute aquatic toxicity (Category 2), H401
Chronic aquatic toxicity (Category 2), H411
GHS Label elements, including precautionary statements
Pictogramenvironment.jpg
Signal word 104-45-0
Hazard statement(s)
H227 - Combustible liquid
H303 - May be harmfulif swallowed
H401 - Toxic to aquatic life
H411 - Toxic to aquatic life with long lasting effects
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273 - Avoid release to the environment.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P370 + P378 - In case of fire: Use appropriate media to extinguish.
P391 - Collect spillage. Hazardous to the aquatic environment
P403 + P235 - Store in a well-ventilated place. Keep cool.
P501 - Dispose of contents/ container to an approved waste disposal plant.
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

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 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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations: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
WGK Germany:2
1-methoxy-4-propylbenzene
Chemidplus:0000104450
RTECS:BZ9450000 for cas# 104-45-0