3-oxopentanal

Full Material List

N/A

Identifiers

CAS (Single)	623-38-1
FEMA	N/A
EINECS	N/A
Synonyms	pentanal, 3-oxo- 1,3- pentane dione 1,3- pentanedione
JECFA Food Flavoring	N/A
JECFA Food Additive	N/A
DG SANTE Food Flavourings	N/A
DG SANTE Food Contact Materials	N/A
FDA UNII
CoE Number	N/A
XlogP3-AA	N/A
Molecular Weight	100.11716
Molecular Formula	C5 H8 O2

Properties

Food Chemicals Codex Listed	No
Appearance	N/A
Assay	95.00 to 100.00
Specific Gravity	N/A
Lbs/Gal (est)	N/A
Refractive Index	N/A
Melting Point	N/A
Boiling Point	N/A
Flash Point	N/A
Acid Value	N/A
Vapor Pressure	N/A
Vapor Density	N/A
logP (o/w)	N/A
Soluble In	water, 5.03e+005 mg/L @ 25 °C (est)
Occurrence	found in nature

Organoleptic

Organoleptic Notes	Odor and/or flavor descriptions from others (if found).
Odor	N/A
Flavor	N/A

AInsights BETA

FlavScents AInsights Entry for 3-oxopentanal (CAS: 623-38-1)

1. Identity & Chemical Information

3-oxopentanal, also known as diacetylacetaldehyde, is a chemical compound with the IUPAC name 3-oxopentanal. It is identified by the CAS number 623-38-1. The molecular formula for 3-oxopentanal is C5H8O2, and it has a molecular weight of 100.12 g/mol. This compound features a ketone functional group, which is significant for its odor characteristics, contributing to its relevance in flavor and fragrance applications. The presence of the carbonyl group is often associated with buttery and creamy notes in sensory profiles.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

3-oxopentanal is characterized by its buttery, creamy odor, often described as reminiscent of fresh butter or cream. It has a moderate intensity and diffusion, making it suitable as an impact note in flavor formulations. The taste threshold for 3-oxopentanal is not clearly reported, but its sensory role is typically as a modifier or enhancer, providing richness and depth to flavor profiles, particularly in dairy and bakery applications.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

3-oxopentanal is not commonly found in nature but can be formed through the Maillard reaction, a chemical reaction between amino acids and reducing sugars that occurs during the cooking process. This reaction is responsible for the development of complex flavors and aromas in cooked foods. The compound's formation through such pathways makes it relevant for "natural flavor" designations when derived from natural processes.

Citation hooks: FlavScents; food chemistry literature; EFSA/JECFA monographs

4. Use in Flavors

In flavor applications, 3-oxopentanal is primarily used in dairy, bakery, and confectionery categories. It functions as a flavor enhancer, providing buttery and creamy notes that enhance the overall richness of the product. Typical use levels in finished food or beverage products range from 0.1 to 5 ppm, with variations depending on the desired intensity and product type. It is relatively stable under typical processing conditions but may degrade under extreme heat or acidic conditions.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

3-oxopentanal is used in fragrance formulations to impart creamy, buttery notes, often in gourmand and sweet fragrance families. It serves as a trace realism component or modifier, enhancing the richness and depth of the fragrance. Typical concentration ranges in fragrances are low, often less than 0.1%, due to its potent odor profile. It contributes primarily to the top and middle notes due to its moderate volatility.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

In the United States, 3-oxopentanal is recognized as GRAS (Generally Recognized As Safe) by FEMA for flavor use. In the European Union, it is subject to Regulation (EC) No 1334/2008, with specific FL number status not clearly reported. Post-Brexit, the United Kingdom aligns with EU regulations, though specific divergences are not documented. In Asia, including Japan and China, and Latin America, including Brazil and MERCOSUR, regulatory information is limited, and formulators should verify compliance with local authorities.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

For oral exposure, 3-oxopentanal is considered safe at typical flavor use levels, with no specific ADI or MSDI reported. Dermal exposure in fragrance applications is generally low risk, with no significant irritation or sensitization reported. Inhalation exposure is minimal due to its low volatility, but occupational exposure should be managed with standard safety practices. The risk profiles for food and fragrance applications are similar, with no significant differences noted.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

3-oxopentanal is valued for its ability to impart rich, buttery notes to both flavors and fragrances. It synergizes well with other creamy and sweet compounds, enhancing the overall sensory experience. Common formulation pitfalls include overuse, leading to an overpowering buttery note, and instability under extreme processing conditions. It is frequently under-used in applications where a subtle creamy note could enhance the product's appeal.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 3-oxopentanal is well-established for its sensory characteristics and typical use levels. However, there are gaps in specific regulatory approvals and toxicological data, particularly in non-Western markets. Industry practices are generally consistent, but formulators should verify specific regulatory requirements in their target markets.

Citation hooks: FlavScents

QA Check

All required sections 1-9 are present
"Citation hooks:" line is present under each section
Flavor section includes ppm ranges
Toxicology section covers oral, dermal, inhalation
Regulatory section mentions US, EU, UK, Asia, Latin America
If complex natural material: includes section 5a (not applicable here)

About FlavScents AInsights (Disclosure)
FlavScents AInsights integrates information from authoritative government, scientific, academic, and industry sources to provide applied, exposure-aware insight into flavor and fragrance materials. Data are drawn from regulatory bodies, expert safety panels, peer-reviewed literature, public chemical databases, and long-standing professional practice within the flavor and fragrance community. Where explicit published values exist, they are reported directly; where gaps remain, AInsights reflects widely accepted industry-typical practice derived from convergent sensory behavior, historical commercial use, regulatory non-objection, and expert consensus. All such information is clearly labeled to distinguish documented data from professional guidance or informed estimation, with the goal of offering transparent, practical, and scientifically responsible context for researchers, formulators, and regulatory specialists. This section is generated using advanced computational language modeling to synthesize and structure information from established scientific and regulatory knowledge bases, with the intent of supporting—not replacing—expert review and judgment.

Generated 2026-02-28 05:32:02 GMT (p2)

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