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4-ethyl heptanoic acid

4-ethyl heptanoic acid is a carboxylic acid characterized by a goaty odor and moderate water solubility, mainly noted for informational purposes rather than fragrance or flavor applications.

General Material Description

4-ethyl heptanoic acid is an organic carboxylic acid with the molecular formula C9H18O2 and a molecular weight of approximately 158.24 g/mol. This compound appears as a liquid at room temperature and exhibits a distinctive goaty odor when assessed at 10% concentration in propylene glycol. Known under synonyms such as 4-ethylheptanoic acid and heptanoic acid, 4-ethyl-, it is catalogued in chemical databases including PubChem. Derived through synthetic or specialized chemical processes rather than natural extraction, this acid is primarily referenced for informational purposes, with no common application in fragrances or flavors due to its organoleptic and regulatory profile.

Occurrence, Applicability & Potential Uses

4-ethyl heptanoic acid does not have a noted biological occurrence and is not commonly used in commercial applications. It is identified mainly for reference within chemical research or database listings. The compound is not employed in fragrance or flavor formulations, as supported by restrictions noted in regulatory guidance such as the FEMA (US) standards, which do not list it as a permitted flavoring agent. Its application is therefore limited, serving mainly as a chemical reference substance rather than a functional ingredient in consumer products.

Physico-Chemical Properties Summary

This acid is moderately soluble in water, with an estimated solubility of approximately 195.5 mg/L at 25 °C, indicating some polar interaction despite its hydrophobic branched alkyl chain. The molecular weight and structure contribute to a calculated logP of about 3.00, reflecting moderate lipophilicity. The goaty odor character arises from its branched alkanoic structure, which influences volatility and sensory profile. Its chemical stability and absence of significant hazards suggest limited reactive behavior under standard handling conditions. These physicochemical attributes impact its lack of widespread formulation use and guide considerations for chemical research or safety evaluations.

FAQ

What is 4-ethyl heptanoic acid and what are its main characteristics?
4-ethyl heptanoic acid is a chemically defined carboxylic acid with a molecular formula of C9H18O2. It is recognized primarily by its goaty odor at 10% concentration in propylene glycol and appears as a liquid at standard laboratory conditions. Its synonyms include 4-ethylheptanoic acid and heptanoic acid, 4-ethyl-. The compound is catalogued in databases such as PubChem and has limited application beyond informational and research contexts.
How is 4-ethyl heptanoic acid used and where does it occur?
4-ethyl heptanoic acid is not reported to occur naturally and is mainly encountered in specialized chemical databases or research environments. It is not utilized in fragrances or flavors due to its sensory properties and regulatory status. Instead, its role is primarily for chemical reference purposes. Regulatory bodies like FEMA (US) have no authorized uses for this compound in consumable products, underscoring its limited practical application.
What safety and regulatory information is available for 4-ethyl heptanoic acid?
Available data indicate no classified hazards under OSHA's Hazard Communication Standard (29 CFR 1910) for 4-ethyl heptanoic acid. There are no established precautionary label elements or hazard statements. Usage recommendations explicitly exclude its use in fragrances and flavors. References such as the EPA Substance Registry Service and chemical safety summaries provide further safety documentation. Its status is informational, with no specific consumption or topical usage guidelines established.

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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
ChemSpider:View

General Material Information

Trivial Name 4-ethyl heptanoic acid
Short Description heptanoic acid, 4-ethyl-
Formula C9 H18 O2
CAS Number 132735-95-6
FDA UNII Search
xLogP3-AA 3.00 (est)
NMR Predictor External link
Synonyms
  • 4-ethylheptanoic acid
  • heptanoic acid, 4-ethyl-

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 158.24085998535
Solubility
water, 195.5 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Goaty
goaty
General comment At 10.00 % in propylene glycol. goaty

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:
information only not used for fragrances or flavors
Recommendation for 4-ethyl heptanoic acid usage levels up to:
not for fragrance use.
Recommendation for 4-ethyl heptanoic acid 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 :21434157
National Institute of Allergy and Infectious Diseases:Data
4-ethylheptanoic acid