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phenyl propyl phenyl acetate

Phenyl propyl phenyl acetate is an aromatic ester used as a fragrance agent with floral, balsam, rose, and spicy olfactory properties.
Chemical Structure

General Material Description

Phenyl propyl phenyl acetate is an aromatic ester compound with the molecular formula C17H18O2. It appears as a colorless liquid with characteristic floral and balsamic odor notes reminiscent of hyacinth, rose, and green spicy elements. This compound is also known by several synonyms including 3-Phenylpropyl benzeneacetate and acetic acid, phenyl-, 3-phenylpropyl ester. Classified as a fragrance agent, it is derived synthetically through esterification processes linking benzeneacetic acid derivatives with 3-phenylpropyl alcohol. Its chemical structure and identity are detailed under PubChem CID 67148. Due to its distinctive scent, it is utilized primarily in perfumery and fragrance formulations.

Occurrence, Applicability & Potential Uses

Phenyl propyl phenyl acetate naturally does not occur in significant biological sources but is exclusively synthesized for use as a fragrance ingredient. Its floral and balsam scent profile makes it suitable for incorporation into perfumes, colognes, and various scented products seeking notes of hyacinth, mimosa, narcissus, and rose. It has documented use as a fragrance agent under compliance with IFRA (Global) standards, which recommend maximum usage levels up to 5% in fragrance concentrate formulations. It is not approved for flavoring purposes. This compound is valued for imparting complex floral and spicy overlays to fragrance blends.

Physico-Chemical Properties Summary

Phenyl propyl phenyl acetate exhibits physicochemical properties congruent with many aromatic esters. It has a molecular weight of approximately 254.33 g/mol and presents a specific gravity of 1.077 at 25 °C, indicating it is denser than water. Its vapor pressure is very low at 4.0E-6 mmHg at 25 °C, reflecting low volatility under ambient conditions. The flash point is around 303 °F (150 °C), denoting moderate thermal stability and lower flammability risk compared to lighter esters. The estimated log P of 4.481 suggests significant lipophilicity favoring solubility in organic solvents but limited water solubility. It dissolves readily in alcohols and scarcely in water, influencing formulation behavior in aqueous media. These characteristics inform its handling and application in fragrance manufacturing.

FAQ

What is phenyl propyl phenyl acetate and how is it used?
Phenyl propyl phenyl acetate is an aromatic ester used extensively as a fragrance ingredient due to its floral and balsam scent profile. It is employed in perfumery to impart notes resembling hyacinth, rose, mimosa, and spices. Synthesized chemically, it provides a complex aroma enhancing various fragrance blends but is not utilized as a flavoring agent.
Where does phenyl propyl phenyl acetate occur and what are its typical applications?
This compound is not found naturally in biological systems and is produced synthetically for fragrance applications. It is commonly incorporated into perfumes, colognes, and scented consumer products to deliver floral and green balsam notes. Its usage is guided by industry standards to achieve desired olfactory effects while ensuring formulation stability.
What regulatory standards govern the use and safety of phenyl propyl phenyl acetate?
Phenyl propyl phenyl acetate complies with IFRA (Global) standards regulating fragrance ingredients, recommending a maximum use concentration of 5% in fragrance concentrates. Toxicological assessments indicate no significant hazards under typical use conditions. Regulatory information is accessible through bodies such as the European Chemicals Agency (ECHA) and various safety data resources, supporting its safe application within prescribed limits.

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:2916.35.1500
ChemSpider:View

General Material Information

Preferred name phenyl propyl phenyl acetate
Trivial Name 3-Phenylpropyl benzeneacetate
Short Description benzeneacetic acid, 3-phenylpropyl ester
Formula C17 H18 O2
CAS Number 122-44-1
ECHA Number 204-544-1
FDA UNII Search
Nikkaji Number J297.775C
NMR Predictor External link
Synonyms
  • acetic acid, phenyl-, 3-phenylpropyl ester
  • benzeneacetic acid, 3-phenylpropyl ester
  • 3-phenyl propyl 2-phenyl acetate
  • 3-phenylpropyl 2-phenylacetate
  • phenylpropyl phenylacetate
  • 3-phenylpropyl phenylacetate
  • 3-phenylpropyl 2-phenylacetate
  • 3-Phenylpropyl benzeneacetate
  • NSC 6688

Suppliers

BOC Sciences

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 254.32885742188
Specific gravity @ 25 °C
Pounds per Gallon
Vapor Pressure 4.0E-6 mmHg @ 25 °C
Flash Point TCC Value 150.56 °C TCC
logP (o/w) 4.481 est
Solubility
alcohol Yes
water, 1.886 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
balsamic, hyacinth, rose, green, spicy
General comment At 100.00 %. balsam hyacinth rose green spicy

Potential Uses

Applications
Odor purposes Balsam , Green , Honeysuckle , Hyacinth , Mimosa , Narcissus , Rose , Spice

Safety Information

Safety information

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)
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:
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 phenyl propyl phenyl acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for phenyl propyl phenyl acetate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :67148
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-phenylpropyl 2-phenylacetate
Chemidplus:0000122441