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para-anisyl acetate

Para-anisyl acetate is a synthetic ester known for its sweet, powdery, fruity aroma used primarily in flavors and fragrances.
Chemical Structure

General Material Description

Para-anisyl acetate, also known as 4-methoxybenzyl acetate, is an aromatic ester with the molecular formula C10H12O3. It appears as a clear liquid with distinctive sweet and powdery olfactory characteristics reminiscent of vanilla, cherry, and fruity balsamic notes. This compound is commonly referenced under various synonyms such as acetic acid 4-methoxy-benzyl ester and cassie ketone. Its sensory profile contributes to its widespread use in flavor and fragrance formulations. The compound is typically synthesized for commercial use but also occurs naturally in extracts like cananga oil and cassie absolute. It is cataloged in public chemical databases such as PubChem, facilitating research and regulatory documentation.

Occurrence, Applicability & Potential Uses

Para-anisyl acetate is naturally found in several plant sources including almond flower, cananga oil from China, cassie absolute, and osmanthus flower absolute, among others. It is valued for its medium-strength powdery and sweet vanilla-like odor and fruity flavor notes, making it a key ingredient in flavor and fragrance industries. The compound enhances products by imparting balsamic, cherry, licorice, and floral attributes, which are utilized in various applications such as perfuming agents, baked goods, beverages, confectionery, and creams. Its usage and safety are governed under standards like FEMA (US) and the IFRA Code of Practice (Global), which recommend limits on concentration to ensure consumer safety and regulatory compliance.

Physico-Chemical Properties Summary

Para-anisyl acetate is a moderately lipophilic ester with an estimated logP of approximately 1.9, contributing to its solubility in alcohols, dipropylene glycol, and fixed oils while showing limited solubility in aqueous and glycol-based solvents like glycerin and propylene glycol. It has a specific gravity near 1.11 at 25 °C and a refractive index ranging between 1.551 and 1.555 at 20 °C. The compound exhibits low vapor pressure at room temperature, indicating moderate volatility, and a flash point of 212 °F (approximately 100 °C), which implies relative safety under normal formulation and storage conditions. Para-anisyl acetate demonstrates stability in various product media including creams, lotions, bath foams, and detergents, without causing discoloration. Proper storage in sealed containers protected from heat and light extends its shelf life beyond two years.

FAQ

What is para-anisyl acetate and what are its primary characteristics?
Para-anisyl acetate is an aromatic ester known chemically as 4-methoxybenzyl acetate. It possesses a clear liquid appearance and features a sweet, powdery odor with fruity and vanilla-like nuances. This compound is widely used in flavor and fragrance industries due to its appealing sensory profile, providing balsamic, cherry, and licorice notes. Its molecular formula is C10H12O3, and it is commonly identified under synonyms such as anisyl acetate and cassie ketone.
In which natural sources does para-anisyl acetate occur, and how is it used commercially?
Para-anisyl acetate naturally occurs in various botanical materials including almond flower, cananga oil, cassie absolute, and osmanthus flower absolute. Commercially, it serves as a flavoring agent and fragrance ingredient, enhancing products like baked goods, beverages, confectionery, and perfumery. Its sensory contribution includes powdery and fruity aromas that enrich formulations such as creams, lotions, and soaps. Regulatory standards like FEMA (US) and the IFRA Code of Practice (Global) guide its safe use levels in commercial applications.
What are the safety considerations and regulatory statuses for para-anisyl acetate?
Para-anisyl acetate is classified as harmful if swallowed and harmful to aquatic life, with precautionary statements advising avoidance of skin and eye contact. Oral toxicity studies report an LD50 of 2250 mg/kg in rats, and dermal toxicity is low with an LD50 of 5000 mg/kg in rabbits. Its use in flavor and fragrance products is regulated under the IFRA Code of Practice (Global) and FEMA GRAS (US). Recommended usage levels in fragrance concentrates can reach up to 8%. Safety assessments from agencies such as the European Food Safety Authority and the Research Institute for Fragrance Materials provide detailed toxicological evaluations. Proper storage and handling minimize hazards during its use.

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

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Literature & References

(4-methoxyphenyl)methyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:104-21-2
Pubchem (cid):7695
Pubchem (sid):134972724
Pherobase:View
Publications by PubMed
Identification of the key odorants in Tahitian cured vanilla beans (Vanilla tahitensis) by GC-MS and an aroma extract dilution analysis.

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):HMDB33761
FooDB:FDB011898
Export Tariff Code:2915.39.4550
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

General Material Information

Preferred name para-anisyl acetate
Trivial Name 4-Methoxybenzyl acetate
Short Description 4-methoxybenzyl acetate
Formula C10 H12 O3
CAS Number 104-21-2
FEMA Number 2098
ECHA Number 203-185-8
FDA UNII 2GEC7KBO31
Nikkaji Number J31.561C
MDL MFCD00048211
COE Number 209
NMR Predictor External link
JECFA Food Flavoring 873 anisyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 104-21-2 ; ANISYL ACETATE
Synonyms
  • acetic acid 4-methoxy-benzyl ester
  • anisyl acetate
  • 4-anisyl acetate
  • nat. anisyl acetate
  • p- anisyl acetate
  • anisyl acetate (natural)
  • anisyl acetate FCC
  • anisyl acetate natural
  • anisyl acetate, natural
  • anisyl alcohol acetate
  • benzenemethanol, 4-methoxy-, acetate
  • benzyl alcohol, p-methoxy-, acetate
  • cassie ketone
  • 1-methoxy-4-acetoxymethylbenzene
  • 4-methoxybenzenene methyl acetate
  • 4-methoxybenzenenemethyl acetate
  • 4-methoxybenzyl acetate
  • p- methoxybenzyl acetate
  • para- methoxybenzyl acetate
  • methoxybenzyl acetate, p-
  • p- methoxybenzyl alcohol acetate
  • para- methoxybenzyl alcohol acetate
  • (4-methoxyphenyl)methyl acetate
  • (4-methoxyphenyl)methyl acetate
  • Benzenemethanol, 4-methoxy-, 1-acetate
  • p-Anisyl alcohol, acetate
  • p-Methoxybenzyl acetate
  • p-Methoxybenzyl alcohol acetate
  • 4-Methoxybenzyl acetate
  • 4-Methoxybenzenemethanol acetate
  • NSC 46102
  • 4-Anisyl acetate
  • 1-Methoxy-4-acetoxymethylbenzene

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 180.20324707031
Specific gravity @ 25 °C
Pounds per Gallon 9.178 to 9.245
Specific gravity @ 20 °C
Pounds per Gallon 9.197 to 9.264
Refractive Index 1.551 to 1.555 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.021 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 1.887 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
dipropylene glycol Yes
fixed oils Yes
water, 782.9 mg/L @ 25 °C (est) Yes
glycerin No
propylene glycol No
Stability
bath foam Unspecified
cream Unspecified
detergent Unspecified
hair spray Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
powder Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Powdery
sweet, powdery, balsamic, vanilla, fruity, plum, cherry, tonka, creamy, spicy, coumarinic
Odor strength medium
Substantivity 100 hour(s) at 100.00 %
Luebke, William tgsc, (1982) At 100.00 %. sweet powdery balsam vanilla fruity plum cherry tonka
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 5.00 %. Sweet, creamy, powdery, spicy, vanilla, cherry, coumarin, fruity
Flavor Type: Fruity
sweet, fruity, licorice, cherry, vanilla, coumarinic
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 30.00 ppm. Sweet, fruity, licorice, cherry, vanilla, coumarin
General comment Fruity floral vanilla balsam cherry licorice coumarin
Useful in: vanilla, fruity red, fruity yellow, fruity tropical, fruity others. Sweet, coumarin, fruity, balsamic, floral

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
Acute aquatic toxicity (Category 3), H402
GHS Label elements, including precautionary statements
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
H402 - Harmful to aquatic life
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
4 % solution: no skin irritation.
Oral/Parenteral Toxicity:
oral-rat LD50 [sex: M,F] 2250 mg/kg
(Weir & Wong, 1971b)

Dermal Toxicity:
skin-rabbit LD50 5000 mg/kg
(Weir & Wong, 1971b)

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 para-anisyl acetate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 50.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 300.00 (μg/capita/day)
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: -12.00000
beverages(nonalcoholic): -6.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -30.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -8.00000
fruit ices: -8.00000
gelatins / puddings: -11.00000
granulated sugar: --
gravies: --
hard candy: -15.00000
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) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (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 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):104-21-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7695
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(4-methoxyphenyl)methyl acetate
Chemidplus:0000104212