Heptyl Butyrate (CAS 5870-93-9) — Mid Note Fragrance Ingredient
Heptyl Butyrate
CAS 5870-93-9
What Is Heptyl Butyrate?
Heptyl Butyrate (CAS 5870-93-9) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as fruity, winey and sweet, placing it within the fruity family as a mid note with medium volatility. With a molecular weight of 186.3 (formula C11H22O2), it is handled by perfumers as a building block for compositions where a fruity character is desired. The data below is compiled from public chemical and regulatory sources.
Safety Profile
GENERALLY SAFE
What Does Heptyl Butyrate Smell Like?
The odour profile of Heptyl Butyrate is reported as fruity, winey, sweet, green, chamomile-like, tea-like, honey-like, floral. The dominant facet is its fruity character, with the remaining notes adding nuance and complexity. As a mid note it contributes to the heart 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
Heptyl Butyrate has the molecular formula C11H22O2 and a molecular weight of 186.3 g/mol. Its canonical SMILES representation is CCCCCCCOC(=O)CCC. Its reported log P (XLogP) of 3.30 indicates a lipophilic, oil-soluble 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 | 186.3 g/mol |
|---|---|
| Boiling Point | 224.7 °C |
| Melting Point | -57.50 °C |
| Flash Point | 90.25 °C |
| Density | 0.8555 g/cm³ |
| Vapor Pressure | 0.09 mmHg |
| Water Solubility | 0.0003525 g/L |
| XLogP | 3.30 |
Perfumer Guide
Alternatives & Comparisons
Ingredients occupying a similar odour space — useful as substitutes or companions when Heptyl Butyrate is unavailable or restricted.
Shares floral, fruity, green character — a candidate substitute or companion in the same odour space.
Shares floral, fruity, green character — a candidate substitute or companion in the same odour space.
Shares sweet, floral, 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.
Odour detection threshold (air): 0.0016 ppb — a literature-curated value indicating its potency in the vapour phase.
Open Heptyl Butyrate 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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