1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate (CAS 68844-96-2) — Woody Base Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate

CAS 68844-96-2

Origin
synthetic
Note
Base
IFRA
Use with awareness
Data as of: Apr 2026

What Is 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate?

1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes a unique aromatic profile that enhances complexity in modern compositions. This ingredient matters because it offers perfumers a versatile tool for creating distinctive accords, particularly in woody and oriental fragrances where depth and longevity are desired.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Potential sensitizer – use with caution
CAS
68844-96-2
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate Smell Like?

This synthetic molecule offers a complex aroma profile, blending woody, slightly spicy, and faintly floral nuances. It evolves on the skin, starting with a sharp, almost peppery top note that quickly mellows into a warm, resinous heart. The dry-down reveals a subtle sweetness reminiscent of balsamic materials, making it a versatile base note enhancer.

Scent Profile
Layer 2

2D Molecular Structure

1,3-Benzodioxole-5-propanol, .alpha.-methyl-, 5-acetate

SMILES: CC(CCC1=CC=C2OCOC2=C1)OC(C)=O

Chemistry, Properties & Perfumer Guide

The Chemistry

1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate is a synthetic aromatic compound belonging to the benzodioxole family. It is typically synthesized through acetylation of the corresponding alcohol precursor. The molecule features a benzodioxole core, which contributes to its stability and aromatic character. The propanol side chain with an alpha-methyl group adds complexity to its olfactory profile.

Physical & Chemical Properties

Boiling PointN/A
DensityN/A

Perfumer Guide

Note Position
Base
Volatility
Low (hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Adds depth and warmth
Personal Care0.5-1%Up to 2%Used sparingly for subtle effects

Classic Accords

Tip: Use in small quantities to enhance woody bases without overpowering other notes.

Alternatives & Comparisons

1
Benzyl salicylate CAS 118-58-1

A safer alternative with similar balsamic-woody characteristics, often used as a fixative.

2
Coumarin CAS 91-64-5

Offers a sweeter, hay-like note that can complement similar fragrance profiles.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA.

RIFM Assessment

No specific RIFM assessment found for this compound.

Sustainability

As a synthetic ingredient, its production is controlled in laboratory settings, minimizing environmental impact compared to some natural alternatives. However, like all synthetic materials, it requires energy and resources for production. Responsible sourcing of precursors and efficient manufacturing processes can help reduce its environmental footprint.

Explore 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate

Browse essential oils and aroma compounds.

Browse on iHerb →

Affiliate disclosure: we may earn a small commission at no extra cost to you.

References

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

    Report a data error

    Ingredient Data Sheet

    CAS 68844-96-2

    Physical Properties

    Molecular Weight236.26 g/mol🔬 PubChem
    LogP (Octanol-Water)2.8🔬 PubChem
    Boiling Point294 °C🔬 EPA CompTox
    Vapor Pressure0 mmHg @ 25°C📊 OPERA
    Flash Point147.5 °C🔬 EPA CompTox
    log Kp (skin permeability)-2.153💻 Calculated
    SMILESCC(CCC1=CC2=C(C=C1)OCO2)OC(=O)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score8.3 / 5💻 Calculated

    Odor & Flavor

    Functional Groupsesteretheraromatic💻 RDKit
    Data Sources & Attribution
    Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.

    Physicochemical Properties

    DTXSID: DTXSID70867723

    Physical Properties

    Molecular Weight 236.267 g/mol🔬 EPA CompTox
    Density 1.146 g/cm^3📊 OPERA
    Boiling Point 312.715 °C📊 OPERA
    Melting Point 58.877 °C📊 OPERA
    Flash Point 143.723 °C📊 OPERA
    Refractive Index 1.524 Dimensionless📊 OPERA
    Molar Volume 203.314 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.796 Log10 unitless📊 OPERA
    LogD (pH 5.5) 2.796 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.796 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 7.53 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg📊 OPERA
    Viscosity 16.492 cP📊 OPERA
    Surface Tension 41.25 dyn/cm📊 OPERA
    Thermal Conductivity 139.95 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 44.76 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 4 count💻 Computed
    Rotatable Bonds 4 count💻 Computed
    Aromatic Rings 1 count💻 Computed
    Molar Refractivity 62.228 cm^3/mol📊 OPERA
    Polarizability 24.669 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.

    Similar Posts