Propyl (2S)-2-(1,1-dimethylpropoxy)-propanoate (CAS 319002-92-1) — Sweet Middle Note Fragrance Ingredient

ByThe Good Scents
Sweet · Floral

Propyl (2S)-2-(1,1-dimethylpropoxy)-propanoate

CAS 319002-92-1

Origin
synthetic
Note
Middle
IFRA
Generally safe
Data as of: Apr 2026

What Is Propyl (2S)-2-(1,1-dimethylpropoxy)-propanoate?

Propyl (2S)-2-(1,1-dimethylpropoxy)-propanoate is a synthetic fragrance ingredient used in modern perfumery. It’s found in niche and designer fragrances where unique, long-lasting notes are desired. This molecule contributes to the complexity and longevity of fragrances, making it valuable for perfumers seeking innovative scent profiles.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Limited safety data – use standard precautions
CAS
319002-92-1
Formula
Mixture
MW
Variable
Odor Family
Sweet · Floral
Layer 1 · Enthusiast

What Does Propyl (2S)-2-(1,1-dimethylpropoxy)-propanoate Smell Like?

Propyl (2S)-2-(1,1-dimethylpropoxy)-propanoate offers a complex olfactory profile with fruity, slightly woody undertones. The top note presents a fresh, almost citrus-like brightness that evolves into a heart of subtle green nuances. The dry-down reveals a warm, slightly sweet character with excellent tenacity. Its stereochemistry contributes to a clean, precise odor profile that blends well with modern fragrance architectures.

Scent Profile
Layer 2

2D Molecular Structure

Propanoic acid, 2-(1,1-dimethylpropoxy)-, propyl ester, (2S)-

SMILES: CCCOC(=O)[C@H](C)OC(C)(C)CC

Chemistry, Properties & Perfumer Guide

The Chemistry

Propyl (2S)-2-(1,1-dimethylpropoxy)-propanoate is a chiral ester with a branched ether functionality. The (2S) configuration is crucial for its odor characteristics. Synthesized through esterification of the corresponding acid with propanol, this molecule demonstrates how subtle structural modifications can create novel fragrance materials. The tert-alkoxy group provides stability while contributing to its unique scent profile.

Physical & Chemical Properties

Boiling PointNot available
DensityNot available

Perfumer Guide

Note Position
Middle
Volatility
Moderate (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Used as a modifier
Functional Fragrance0.5-2%Up to 3%For longevity

Classic Accords

Tip: Use as a bridge between citrus top notes and woody base notes for seamless transitions.

Alternatives & Comparisons

1
Propyl (2R)-2-(1,1-dimethylpropoxy)-propanoate CAS Not available

The enantiomer may show different odor characteristics due to chiral recognition by olfactory receptors.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

General reference only. Consult current IFRA Standards Library before formulating.

IFRA Status

Not currently restricted by IFRA standards.

RIFM Assessment

No specific RIFM assessment found for this compound.

Sustainability

As a synthetic material, this compound’s environmental impact depends on manufacturing processes. Being produced in controlled facilities typically results in consistent quality with minimal batch variation. The chiral synthesis may require careful solvent selection to minimize waste.

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References

    Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.

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    Physicochemical Properties

    DTXSID: DTXSID30889168

    Physical Properties

    Molecular Weight 202.294 g/mol🔬 EPA CompTox
    Density 0.911 g/cm^3📊 OPERA
    Boiling Point 231.366 °C📊 OPERA
    Melting Point -48.49 °C📊 OPERA
    Flash Point 83.099 °C📊 OPERA
    Refractive Index 1.426 Dimensionless📊 OPERA
    Molar Volume 220.379 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.661 Log10 unitless📊 OPERA
    LogD (pH 5.5) 2.661 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.661 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.51 Log10 unitless📊 OPERA
    Water Solubility 0.017 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.208 mmHg📊 OPERA
    Viscosity 1.737 cP📊 OPERA
    Surface Tension 26.864 dyn/cm📊 OPERA
    Thermal Conductivity 132.541 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 35.53 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 3 count💻 Computed
    Rotatable Bonds 6 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 56.455 cm^3/mol📊 OPERA
    Polarizability 22.38 Å^3📊 OPERA

    Data Sources:

    🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.

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