Phenol, 2-(1-methylpropyl)- (CAS 89-72-5) — Woody Base Note Fragrance Ingredient

ByThe Good Scents
Woody · Spicy

Phenol, 2-(1-methylpropyl)-

CAS 89-72-5

Origin
synthetic
Note
Base
IFRA
Professional use
Data as of: Apr 2026

What Is Phenol, 2-(1-methylpropyl)-?

Phenol, 2-(1-methylpropyl)- is a synthetic aromatic compound used in industrial and specialty fragrances. It’s found in some woody or medicinal scents, though not commonly in consumer products. This ingredient matters as a building block for more complex fragrance molecules, offering chemists precise control over scent profiles in niche applications.

Safety Profile

PROFESSIONAL USE
Generally safeUse with awarenessProfessional use
⚠ Requires professional handling
✗ Not for direct consumer use
CAS
89-72-5
Formula
Mixture
MW
Variable
Odor Family
Woody · Spicy
Layer 1 · Enthusiast

What Does Phenol, 2-(1-methylpropyl)- Smell Like?

This synthetic phenol presents a sharp, medicinal top note reminiscent of hospital disinfectants, with underlying woody facets that emerge as it dries. The initial phenolic punch gives way to a leathery, slightly smoky heart, while the base lingers with a dry, almost mineral-like quality. Its odor profile is linear rather than evolving, maintaining its chemical character throughout the dry-down.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Layer 2

2D Molecular Structure

2-(Butan-2-yl)phenol

SMILES: CCC(C)C1=C(O)C=CC=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

2-(1-methylpropyl)phenol belongs to the alkylphenol class, synthesized through Friedel-Crafts alkylation of phenol with sec-butyl halides. The branched alkyl chain at the ortho position creates steric hindrance that influences both reactivity and odor characteristics. As a synthetic material, it’s produced under controlled conditions to ensure purity and consistency.

Physical & Chemical Properties

Perfumer Guide

Note Position
Base
Volatility
Low (>6 hours)
Blending
Limited
ApplicationTypical %RangeNotes
Industrial Fragrance<1%Trace-2%Used as modifier in heavy bases

Classic Accords

Tip: Use in minute quantities to add phenolic depth to leather or woody bases.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA.

GHS Classification

H315 Skin irritation H319 Eye irritation H335 May cause respiratory irritation

RIFM Assessment

No RIFM safety assessment currently available.

Sustainability

As a synthetic material, production can be optimized for minimal waste, though the petrochemical origin presents standard sustainability challenges for fossil-derived compounds.

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References

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

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    Ingredient Data Sheet

    CAS 89-72-5

    Physical Properties

    Molecular Weight150.22 g/mol🔬 PubChem
    LogP (Octanol-Water)3.4🔬 PubChem
    Boiling Point226.1 °C🔬 EPA CompTox
    Flash Point112.2 °C🔬 EPA CompTox
    log Kp (skin permeability)-1.202💻 Calculated
    SMILESCCC(C)C1=CC=CC=C1O🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated

    Odor & Flavor

    Primary Descriptorsspicywoody• leffingwell
    Functional Groupsphenolaromatic💻 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: DTXSID2022331

    Physical Properties

    Molecular Weight 150.221 g/mol🔬 EPA CompTox
    Density 0.967 g/cm^3🔬 EPA CTX
    Boiling Point 207.679 °C🔬 EPA CTX
    Melting Point 12.982 °C🔬 EPA CTX
    Flash Point 108.111 °C🔬 EPA CTX
    Refractive Index 1.52 Dimensionless📊 OPERA
    Molar Volume 154.442 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 74.446 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 3.286 Log10 unitless📊 OPERA
    LogD (pH 7.4) 3.286 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 7.57 Log10 unitless📊 OPERA
    Water Solubility 0.01 mol/L🔬 EPA CTX
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.049 mmHg🔬 EPA CTX
    Viscosity 9.306 cP📊 OPERA
    Surface Tension 34.927 dyn/cm📊 OPERA
    Thermal Conductivity 138.746 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 20.23 Ų💻 Computed
    H-Bond Donors 1 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 2 count💻 Computed
    Aromatic Rings 1 count💻 Computed
    Molar Refractivity 46.952 cm^3/mol📊 OPERA
    Polarizability 18.613 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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