1-(2-methylpropyl)-4-(propoxymethyl)benzene (CAS 1631962-93-0) — Woody Middle to base Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

1-(2-methylpropyl)-4-(propoxymethyl)benzene

CAS 1631962-93-0

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

What Is 1-(2-methylpropyl)-4-(propoxymethyl)benzene?

1-(2-methylpropyl)-4-(propoxymethyl)benzene is a synthetic aromatic compound used in modern perfumery to create unique scent profiles. While not commonly known by consumers, it appears in niche fragrances seeking novel woody-ambery effects. This ingredient represents perfumery’s cutting-edge, where chemists craft molecules that don’t exist in nature to expand creative possibilities. Its controlled synthesis allows precise odor characteristics without relying on natural extracts.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major safety concerns in current use
⚠ Limited toxicological data available
CAS
1631962-93-0
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does 1-(2-methylpropyl)-4-(propoxymethyl)benzene Smell Like?

This synthetic molecule offers a complex aromatic profile beginning with crisp, almost metallic top notes that quickly transition to a warm, resinous heart. The dry-down reveals a sophisticated woody-amber character with subtle facets reminiscent of aged leather and dry tobacco. Unlike natural ambers, it maintains exceptional clarity without becoming cloying, behaving like an olfactory prism that refracts light differently depending on surrounding notes.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Molecule 05(Escentric Molecules, 2018)

Used as the sole active ingredient to demonstrate its unique woody-ambergris character that shifts perception based on skin chemistry.

Amber Aoud(Roja Dove, 2012)

Provides a synthetic amber backbone that enhances the oud’s complexity without overpowering its natural nuances.

Layer 2

2D Molecular Structure

4-(2-Methylpropyl)benzyl propyl ether

SMILES: CCCOCC1=CC=C(CC(C)C)C=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

As a synthetic aromatic ether, this benzene derivative features both isobutyl and propoxymethyl substituents in para positions. The electron-donating propoxy group influences the molecule’s polarity and volatility. Industrial synthesis typically involves Williamson ether synthesis starting from p-cymene derivatives. Unlike many amber materials, it lacks the polycyclic structures found in natural ambergris replacements.

Physical & Chemical Properties

Physical StateLiquid (predicted)
Molecular ClassAromatic ether

Perfumer Guide

Note Position
Middle to base
Volatility
Moderate (4-8 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Amber-modifier
Functional Fragrance0.5-1%Up to 2%Longevity enhancer

Classic Accords

Tip: Use with ionones to prevent excessive dryness in the dry-down.

Alternatives & Comparisons

1
Ambroxan CAS 6790-58-5

For more marine-ambergris effects with similar longevity but different tonal quality.

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

Under evaluation by RIFM as a novel fragrance material.

Sustainability

As a purely synthetic material, production avoids harvesting natural resources. However, its petroleum-derived synthesis carries standard petrochemical industry environmental impacts. Future green chemistry routes may improve its sustainability profile.

Explore 1-(2-methylpropyl)-4-(propoxymethyl)benzene

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 1631962-93-0

    Physical Properties

    Molecular Weight206.32 g/mol🔬 PubChem
    LogP (Octanol-Water)4.1🔬 PubChem
    Boiling Point274 °C🔬 EPA CompTox
    Vapor Pressure0.0113 mmHg @ 25°C📊 OPERA
    Flash Point104 °C🔬 EPA CompTox
    Involatility Index0.0008💻 Calculated
    log Kp (skin permeability)-1.048💻 Calculated
    SMILESCCCOCC1=CC=C(C=C1)CC(C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score4.2 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsbalsamicwoody• leffingwell
    Functional Groupsetheraromatic💻 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: DTXSID401036024

    Physical Properties

    Molecular Weight 206.329 g/mol🔬 EPA CompTox
    Density 0.897 g/cm^3🔬 EPA CTX
    Boiling Point 277.06 °C📊 OPERA
    Melting Point -9.581 °C📊 OPERA
    Flash Point 104 °C🔬 EPA CTX
    Refractive Index 1.488 Dimensionless📊 OPERA
    Molar Volume 227.834 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 5.5 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 4.384 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.384 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 6.89 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L📊 OPERA
    Henry's Law Constant 0.001 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.013 mmHg🔬 EPA CTX
    Viscosity 5.643 cP📊 OPERA
    Surface Tension 30.955 dyn/cm📊 OPERA
    Thermal Conductivity 128.054 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 9.23 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 6 count💻 Computed
    Aromatic Rings 1 count💻 Computed
    Molar Refractivity 65.587 cm^3/mol📊 OPERA
    Polarizability 26.001 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