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para-anisyl valerate

Para-anisyl valerate is a fruity ester with sweet apricot and tangerine notes, commonly used as a flavor and fragrance agent.

General Material Description

Para-anisyl valerate is an ester compound with the molecular formula C13H18O3. This odorant is known for its fruity scent characterized by sweet apricot and tangerine notes, making it valuable in flavor and fragrance applications. It is also known by several synonyms including p-anisyl pentanoate, 4-anisyl valerate, and 4-methoxybenzyl pentanoate. Structurally, it belongs to the class of aromatic esters derived from pentanoic acid and a methoxy-substituted benzyl alcohol. It can be sourced synthetically and is documented in chemical databases such as PubChem. Its distinctive aroma and chemical stability make it suitable as a flavoring and scent ingredient in various consumer products.

Occurrence, Applicability & Potential Uses

Para-anisyl valerate does not naturally occur in significant amounts in biological systems but is synthesized for use primarily in the flavor and fragrance industries. Its fruity odor profile is applied to impart apricot and tangerine-like fruit notes in perfumes, personal care products, and food flavorings. The compound’s use aligns with standards such as the IFRA Code of Practice (Global), which governs fragrance ingredient safety. Its moderate solubility in alcohols and partial water solubility facilitate its incorporation into diverse formulations. This versatility underpins its continued application in creating fresh, fruity sensory experiences in consumer products.

Physico-Chemical Properties Summary

Para-anisyl valerate exhibits physical and chemical properties relevant to its formulation and handling. It has a specific gravity of approximately 1.065 at 25°C and a boiling range near 303 to 304°C at atmospheric pressure (760 mm Hg), indicating moderate volatility. The compound’s flash point is measured at 254°F, which suggests a level of flammability typical for esters. Its vapor pressure is low, around 0.001 mmHg at 25°C, implying limited evaporation under standard conditions. The estimated partition coefficient (logP) of 3.415 suggests it is moderately lipophilic, favoring solubility in organic solvents like alcohol while having limited solubility in water at approximately 26.3 mg/L at 25°C. These properties support its stable use in fragrance and flavor formulations where controlled volatility and solubility are critical.

FAQ

What is para-anisyl valerate and what are its primary characteristics?
Para-anisyl valerate is an aromatic ester with the molecular formula C13H18O3. It is notable for its fruity odor profile, exhibiting sweet apricot and tangerine notes. This compound is primarily used as a flavor and fragrance ingredient due to its pleasant scent and chemical stability. Common synonyms include p-anisyl pentanoate and 4-methoxybenzyl pentanoate. It is a synthetic ester typically employed in various consumer product formulations to provide fresh fruit aromas.
How is para-anisyl valerate used and where does it typically appear?
Para-anisyl valerate is used mainly in the flavor and fragrance industries to impart fruity sensory characteristics resembling apricot and tangerine. It appears in perfumes, personal care products, and food flavorings where fresh, sweet fruit notes are desired. The compound’s moderate solubility in alcohol and limited solubility in water facilitate its integration into aqueous or alcoholic formulations. While it does not naturally occur in large quantities, its synthetic production supports its availability for these applications.
What regulatory standards and safety information apply to para-anisyl valerate?
Para-anisyl valerate is classified under flavor and fragrance agents and is generally subject to guidelines such as the IFRA Code of Practice (Global), which addresses fragrance ingredient safety and usage limits. Available hazard classifications under OSHA’s Globally Harmonized System (GHS) show no specific hazard statements or precautionary measures. Toxicological data including oral, dermal, and inhalation toxicity have not been fully determined. Users are advised to consult relevant regulatory documents and safety data sheets to ensure compliance with regional standards and safe handling practices.

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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.0000
ChemSpider:View

General Material Information

Trivial Name para-anisyl valerate
Short Description 4-methoxybenzyl pentanoate
Formula C13 H18 O3
Nikkaji Number J155.596K
NMR Predictor External link
Synonyms
  • p- anisyl pentanoate
  • 4-anisyl valerate
  • p- anisyl valerate
  • 4-methoxybenzyl pentanoate
  • 4-methoxybenzyl valerate
  • (4-methoxyphenyl)methyl pentanoate
  • (4-methoxyphenyl)methylpentanoate
  • pentanoic acid, (4-methoxyphenyl)methyl ester

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 222.28405761719
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 303 to 304°C @ 760 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 123.5 °C TCC
logP (o/w) 3.415 est
Solubility
alcohol Yes
water, 26.32 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, apricot, tangerine
General comment At 100.00 %. sweet fruity apricot tangerine

Potential Uses

Applications
Odor purposes Fruit

Safety Information

Safety information

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Laboratory Chemical Safety Summary :6428088
WGK Germany:3
(4-methoxyphenyl)methyl pentanoate