3-Mercapto-3-Methyl-1-Butyl Acetate (CAS 50746-09-3) — Mid Note Fragrance Ingredient
3-Mercapto-3-Methyl-1-Butyl Acetate
CAS 50746-09-3
What Is 3-Mercapto-3-Methyl-1-Butyl Acetate?
3-Mercapto-3-Methyl-1-Butyl Acetate (CAS 50746-09-3) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as ethereal, fruity and pear, placing it within the fruity family as a mid note with medium volatility. With a molecular weight of 162.2 (formula C7H14O2S), it is handled by perfumers as a building block for compositions where a ethereal character is desired. The data below is compiled from public chemical and regulatory sources.
Safety Profile
USE WITH AWARENESS
What Does 3-Mercapto-3-Methyl-1-Butyl Acetate Smell Like?
The odour profile of 3-Mercapto-3-Methyl-1-Butyl Acetate is reported as ethereal, fruity, pear, sulfurous, banana. The dominant facet is its ethereal 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
3-Mercapto-3-Methyl-1-Butyl Acetate has the molecular formula C7H14O2S and a molecular weight of 162.2 g/mol. Its canonical SMILES representation is CC(=O)OCCC(C)(C)S. Its reported log P (XLogP) of 1.65 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 | 162.2 g/mol |
|---|---|
| Boiling Point | 203.0 °C |
| Melting Point | -33.23 °C |
| Flash Point | 76.25 °C |
| Density | 1.00 g/cm³ |
| Vapor Pressure | 0.2581 mmHg |
| Water Solubility | 0.02389 g/L |
| XLogP | 1.65 |
Perfumer Guide
Alternatives & Comparisons
Ingredients occupying a similar odour space — useful as substitutes or companions when 3-Mercapto-3-Methyl-1-Butyl Acetate is unavailable or restricted.
Shares apple, banana, ethereal character — a candidate substitute or companion in the same odour space.
Shares apple, banana, ethereal character — a candidate substitute or companion in the same odour space.
Shares green, fruity, banana 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
Odour detection threshold (air): 0.00045 ppb — a literature-curated value indicating its potency in the vapour phase.
Open 3-Mercapto-3-Methyl-1-Butyl Acetate 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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