4-Methyl-2,3-Pentanedione (CAS 7493-58-5) — Top Note Fragrance Ingredient
4-Methyl-2,3-Pentanedione
CAS 7493-58-5
What Is 4-Methyl-2,3-Pentanedione?
4-Methyl-2,3-Pentanedione (CAS 7493-58-5) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as pungent, buttery and sweet, placing it within the terpenic family as a top note with high volatility. With a molecular weight of 114.2 (formula C6H10O2), it is handled by perfumers as a building block for compositions where a pungent character is desired. The data below is compiled from public chemical and regulatory sources.
Safety Profile
USE WITH AWARENESS
What Does 4-Methyl-2,3-Pentanedione Smell Like?
The odour profile of 4-Methyl-2,3-Pentanedione is reported as pungent, buttery, sweet, fruity, creamy, fatty. The dominant facet is its pungent character, with the remaining notes adding nuance and complexity. As a top note it contributes to the opening of a fragrance. Perceived intensity and exact character depend on concentration, the carrier and the surrounding accord.
Scent Profile
Profile derived from public odour-descriptor data; relative, not absolute.
Chemistry & Properties
The Chemistry
4-Methyl-2,3-Pentanedione has the molecular formula C6H10O2 and a molecular weight of 114.2 g/mol. Its canonical SMILES representation is CC(C)C(=O)C(C)=O. Its reported log P (XLogP) of 0.8005 indicates a moderately polar molecule, which informs how it partitions in a formula. Physical constants below are drawn from PubChem and EPA CompTox public datasets.
Physical & Chemical Properties
| Molecular Weight | 114.2 g/mol |
|---|---|
| Boiling Point | 143.5 °C |
| Melting Point | -2.40 °C |
| Flash Point | 31.82 °C |
| Density | 1.22 g/cm³ |
| Vapor Pressure | 5.82 mmHg |
| Water Solubility | 0.4945 g/L |
| XLogP | 0.8005 |
Perfumer Guide
Alternatives & Comparisons
Ingredients occupying a similar odour space — useful as substitutes or companions when 4-Methyl-2,3-Pentanedione is unavailable or restricted.
Shares floral, sweet, buttery character — a candidate substitute or companion in the same odour space.
Shares fatty, buttery, creamy character — a candidate substitute or companion in the same odour space.
Shares fatty, fruity, green character — a candidate substitute or companion in the same odour space.
Safety & Regulatory
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH and EU Cosmetics Regulation standards update periodically. Consult the current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No IFRA restriction recorded in the data set. This is not a guarantee of unrestricted status — always confirm against the current IFRA Standards Library.
GHS Classification
Signal word: Warning
Open 4-Methyl-2,3-Pentanedione in Fragrance Studio (Pro) for the calibrated vapour-pressure curve, the modelled odour-threshold estimate, and the substitute-matching engine across 2,900+ aromachemicals.
References & Sources
- PubChem Compound Summary (NIH) — search by InChIKey
- EPA CompTox Chemicals Dashboard — physicochemical & fate data
- IFRA Standards Library (49th / 51st Amendment)
Data: PubChem (NIH), EPA CompTox, IFRA. Last reviewed: Jun 2026.
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