benzyl heptanoate

Benzyl heptanoate, also known by its IUPAC name phenylmethyl heptanoate, is an ester compound with the molecular formula C14H20O2. This chemical features a distinctive fruity aroma characterized by notes reminiscent of apricot and herbal sage. It is part of the chemical family of esters commonly used in the flavor and fragrance industry to confer fruity nuances. Benzyl heptanoate occurs naturally in flowers such as Embreea rodigasiana and Rosa davurica, contributing to their scent profiles. Synonymous identifiers include benzyl N-heptanoate and heptanoic acid phenyl methyl ester. Detailed chemical profiles and data are accessible through sources like PubChem. It is generally derived through esterification processes involving heptanoic acid and benzyl alcohol or sourced from natural extracts where present.

Benzyl heptanoate naturally occurs in certain orchid species such as Embreea rodigasiana and in the flowers of Rosa davurica. Its presence contributes to their characteristic fruity and herbal scent signatures. In practical applications, the compound serves primarily as a flavor and fragrance agent to impart apricot and sage-like aromas in various consumer products. Regulatory guidelines including IFRA (Global) standards advise usage levels not to exceed 2% in fragrance concentrates to ensure optimal balance and safety. Its applications extend into perfumery and flavor formulation, offering subtle fruity enhancements that complement complex aromatic profiles.

Benzyl heptanoate exhibits physical and chemical characteristics that influence its performance in formulations. It has a molecular weight of approximately 220.31 g/mol and a moderate log P value near 4.5, indicating lipophilic behavior important for solubility in oils and alcohol-based systems. The compound’s vapor pressure at 25 °C is low (0.002 mmHg), supporting a stable odor profile with slow volatilization. Its specific gravity is measured at 0.98 at 25 °C, denoting a density close to water but less than many solvents. The flash point is recorded at 224 °F (about 107 °C), suggesting moderate flammability precautions when handled in industrial settings. Benzyl heptanoate is soluble in alcohols with limited solubility in water, which affects its use in aqueous formulations and necessitates consideration of solvent compatibility.

(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:	2915.90.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for benzyl heptanoate usage levels up to:
	2.0000 % in the fragrance concentrate.

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 :79554

National Institute of Allergy and Infectious Diseases:Data

benzyl heptanoate

Chemidplus:0005454217