p-(2,2-Dimethoxyethyl)toluene (CAS 42866-91-1) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Sweet

p-(2,2-Dimethoxyethyl)toluene

CAS 42866-91-1

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

What Is p-(2,2-Dimethoxyethyl)toluene?

p-(2,2-Dimethoxyethyl)toluene is a synthetic fragrance ingredient used in modern perfumery to add unique aromatic qualities. It is typically found in niche and designer fragrances. This compound matters because it contributes to complex scent profiles, often enhancing floral or woody accords with its distinctive character.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Limited safety data – use with caution
CAS
42866-91-1
Formula
Mixture
MW
Variable
Odor Family
Woody · Sweet
Layer 1 · Enthusiast

What Does p-(2,2-Dimethoxyethyl)toluene Smell Like?

p-(2,2-Dimethoxyethyl)toluene offers a nuanced aroma with a balance of sweet, woody, and slightly floral tones. Initially, it presents a crisp, almost metallic sharpness that quickly mellows into a warm, resinous heart. The dry-down reveals a lingering, slightly powdery finish reminiscent of aged woods and dried herbs.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Unknown(Unknown, 0)

No specific commercial fragrances identified with this ingredient.

Layer 2

2D Molecular Structure

p-(2,2-Dimethyloxyethyl)toluene

SMILES: COC(CC1=CC=C(C)C=C1)OC

Chemistry, Properties & Perfumer Guide

The Chemistry

p-(2,2-Dimethoxyethyl)toluene is a synthetic aromatic compound belonging to the toluene derivative family. It is synthesized through the reaction of toluene with dimethoxyethane under controlled conditions. The molecule features a toluene core substituted with a dimethoxyethyl group, contributing to its unique olfactory properties.

Physical & Chemical Properties

Boiling PointNot available
DensityNot available

Perfumer Guide

Note Position
Middle
Volatility
Medium (1-3 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Used as a modifier in complex accords

Classic Accords

Tip: Use sparingly to avoid overpowering other notes in the blend.

Alternatives & Comparisons

1
Benzyl salicylate CAS 118-58-1

A safer alternative with similar floral-woody characteristics.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific IFRA restrictions identified.

RIFM Assessment

No RIFM assessment data available.

Sustainability

As a synthetic ingredient, p-(2,2-Dimethoxyethyl)toluene is produced in laboratories, minimizing environmental impact compared to natural extracts. Its production can be tightly controlled for consistency and purity.

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References

  1. No specific references available.

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

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Ingredient Data Sheet

CAS 42866-91-1

Physical Properties

Molecular Weight180.24 g/mol🔬 PubChem
LogP (Octanol-Water)2.4🔬 PubChem
Boiling Point236 °C🔬 EPA CompTox
Vapor Pressure0.0115 mmHg @ 25°C📊 OPERA
Flash Point68.9 °C🔬 EPA CompTox
Involatility Index0.0009💻 Calculated
log Kp (skin permeability)-2.095💻 Calculated
SMILESCC1=CC=C(C=C1)CC(OC)OC🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score3.3 / 5💻 Calculated

Odor & Flavor

Primary Descriptorssweetwoody• 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: DTXSID7068425

Physical Properties

Molecular Weight 180.247 g/mol🔬 EPA CompTox
Density 0.968 g/cm^3📊 OPERA
Boiling Point 232.492 °C📊 OPERA
Melting Point 8.086 °C📊 OPERA
Flash Point 76.03 °C📊 OPERA
Refractive Index 1.49 Dimensionless📊 OPERA
Molar Volume 184.641 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 2.423 Log10 unitless📊 OPERA
LogD (pH 5.5) 2.423 Log10 unitless📊 OPERA
LogD (pH 7.4) 2.423 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 5.79 Log10 unitless📊 OPERA
Water Solubility 0.008 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.069 mmHg📊 OPERA
Viscosity 2.699 cP📊 OPERA
Surface Tension 32.051 dyn/cm📊 OPERA
Thermal Conductivity 131.027 mW/(m*K)📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 18.46 Ų💻 Computed
H-Bond Donors 0 count💻 Computed
H-Bond Acceptors 2 count💻 Computed
Rotatable Bonds 4 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 53.342 cm^3/mol📊 OPERA
Polarizability 21.146 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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