3-(3-tert-butyl phenyl) propanal

3-(3-tert-butyl phenyl) propanal is an aromatic aldehyde classified chemically as C13H18O with an estimated molecular weight of approximately 190.29 g/mol. This compound displays organoleptic properties described as aldehydic, floral, and rubber-like odors. Synonyms for this compound include benzenepropanal, 3-(1,1-dimethylethyl)- and 3-[3-(2-methyl-2-propanyl)phenyl]propanal. Its chemical structure consists of a phenyl ring substituted in the meta position by a tert-butyl group attached to a propanal moiety. The substance is represented in controlled-vocabulary databases such as PubChem. It is typically sourced or synthesized for information purposes rather than consumer product formulation, with no widespread commercial use reported in fragrances or flavorings.

This compound is not naturally occurring in biological systems but is a synthetic aromatic aldehyde derivative. It is primarily of interest for chemical and sensory research due to its distinctive aldehydic and floral odor profile combined with rubbery notes. Despite its detectable odor characteristics, 3-(3-tert-butyl phenyl) propanal holds no current application in fragrance or flavor industries. Information pertaining to its use and safety is catalogued under standards such as REACH (EU), reflecting regulatory oversight on chemical substances. Its potential use remains limited to scientific study without authorized commercial deployment in consumer products.

3-(3-tert-butyl phenyl) propanal exhibits modest water solubility, approximately 21 mg/L at 25 °C, indicating limited hydrophilicity. The compound has a calculated logP around 3.7, suggesting moderate lipophilicity that influences its partitioning behavior in formulations. Its flash point of about 108 °C (228 °F) implies relatively low flammability under standard conditions. The chemical structure features a bulky tert-butyl substituent on the aromatic ring, contributing steric effects that may affect volatility and reactivity. These physicochemical parameters are important for handling considerations and impact compound stability and formulation compatibility in experimental contexts.

(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

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 3-(3-tert-butyl phenyl) propanal usage levels up to:
	not for fragrance use.
Recommendation for 3-(3-tert-butyl phenyl) propanal 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 :57429407

National Institute of Allergy and Infectious Diseases:Data

3-(3-tert-butylphenyl)propanal