isopropyl vanillin

Isopropyl vanillin is a benzaldehyde derivative with the molecular formula C₁₀H₁₂O₃ and a molecular weight of approximately 180.2 g·mol^-1. It is known for its characteristic natural vanilla odor, which is typical of vanillin analogues. This compound appears as a crystalline solid and is recognized under several synonyms including 4-hydroxy-3-isopropoxybenzaldehyde and benzaldehyde, 4-hydroxy-3-(1-methylethoxy)-. Its production or extraction may involve synthetic chemical routes, given its structural relation to vanillin. The compound is indexed in chemical databases such as PubChem. Despite its sensory similarity to vanillin, isopropyl vanillin is primarily for informational and research purposes rather than application in commercial fragrance or flavor products.

Isopropyl vanillin does not occur naturally in significant amounts but is a synthetic derivative of vanillin, which is widely found in vanilla beans. Its main relevance is in scientific contexts or chemical research rather than commercial use. According to usage data and safety assessments, isopropyl vanillin is not employed as an active ingredient in fragrances or flavors. Regulatory frameworks such as REACH (EU) classify it mainly for information purposes without established use in consumer products. This limits its application to investigative studies rather than practical formulation in aroma or taste industries.

The compound has moderate water solubility, estimated at around 1156 mg/L at 25°C, facilitating its dissolution in aqueous media to some extent. Its molecular structure includes a hydroxy and an isopropoxy group attached to a benzaldehyde core, influencing both polarity and reactivity. These functional groups suggest a balance of hydrophilic and lipophilic characteristics, affecting its miscibility and volatility relevant in formulation contexts. The molecular weight near 180 g·mol^-1 supports moderate vapor pressure typical of aromatic aldehydes, which contributes to its sensory perception as a vanilla-like odorant. However, its use restrictions imply limited practical exploitation of these physicochemical traits in consumer products.

(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:	2912.49.0000
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 isopropyl vanillin usage levels up to:
	not for fragrance use.
Recommendation for isopropyl vanillin 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 :15825653

National Institute of Allergy and Infectious Diseases:Data

4-hydroxy-3-propan-2-yloxybenzaldehyde