Phenol (CAS 108-95-2) — Woody Not used Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

Phenol

CAS 108-95-2

Origin
synthetic
Note
Not used
IFRA
Professional use
Data as of: Apr 2026

What Is Phenol?

Phenol is a synthetic organic compound widely used in industrial applications, from plastics to pharmaceuticals. While not common in consumer products due to its toxicity, it’s historically significant as the first antiseptic. Phenol matters because it demonstrates how chemical structure influences both utility and hazard – a foundational concept in fragrance safety.

Safety Profile

PROFESSIONAL USE
Generally safeUse with awarenessProfessional use
⚠ Corrosive – causes severe burns
☠ Toxic if absorbed through skin
CAS
108-95-2
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does Phenol Smell Like?

Phenol has a distinct medicinal, tar-like odor with sharp chemical undertones. Initially presenting as intensely antiseptic (reminiscent of old hospitals), it evolves into a more complex profile with rubbery and smoky nuances. The dry-down reveals lingering industrial character – imagine the scent left after burning electrical insulation.

Scent Profile
Layer 2

2D Molecular Structure

Phenol

SMILES: OC1=CC=CC=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

Phenol (C6H5OH) is the simplest aromatic alcohol. Its hydroxyl group bonded to a benzene ring creates unique reactivity. Industrially produced via cumene process or coal tar distillation. Notable for its acidity (pKa≈10) and role as precursor to many plastics. The aromatic system provides stability while the -OH group enables hydrogen bonding.

Physical & Chemical Properties

Boiling Point181.7 °C
Melting Point40.5 °C
Flash Point79 °C
Density1.07 g/cm³

Perfumer Guide

Note Position
Not used
Volatility
N/A
Blending
N/A
ApplicationTypical %RangeNotes
Not used0%0%Prohibited in cosmetics

Classic Accords

Tip: Not applicable for perfumery due to toxicity.

Alternatives & Comparisons

1
Phenethyl alcohol CAS 60-12-8

Safe aromatic alcohol with rosy notes used as preservative and fragrance component.

2
Guaiacol CAS 90-05-1

Less toxic phenolic compound used for smoky notes in trace amounts.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

IFRA prohibits use in fragrance compounds (Amendment 49).

GHS Classification

H314 Causes severe skin burns H341 Suspected of causing genetic defects H373 May cause organ damage

RIFM Assessment

RIFM considers phenol unsafe at any concentration for fragrance use.

Sustainability

Phenol production has significant environmental impact due to benzene derivatives in synthesis. Coal tar extraction poses contamination risks. Modern plants must manage wastewater containing phenolic compounds. Some bio-based production methods are being researched but not yet commercially viable.

Explore Phenol

Browse essential oils and aroma compounds.

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References

  1. PubChem Compound Summary for CID 996 PubChem
  2. IFRA Standards Library Amendment 49 IFRA

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

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Layer 3 · Practical

  • Odor Profile: medicinal, phenolic
  • FEMA GRAS: 3223
  • Molecular Weight: 94.11 g/mol
  • LogP (XLogP): 1.50

Ingredient Data Sheet

CAS 108-95-2

Physical Properties

Molecular Weight94.11 g/mol🔬 PubChem
LogP (Octanol-Water)1.5🔬 PubChem
Boiling Point182.2 °C🔬 EPA CompTox
Vapor Pressure0.2 mmHg @ 25°C📊 OPERA
Flash Point79.4 °C🔬 EPA CompTox
Involatility Index0.0222💻 Calculated
log Kp (skin permeability)-2.209💻 Calculated
SMILESC1=CC=C(C=C1)O🔬 PubChem

Volatility & Performance

Fragrance NoteTop💻 Calculated
Volatility ClassSlow💻 Calculated
Persistence Score0.8 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsmedicinalphenolic• leffingwell
Functional Groupsphenolaromatic💻 RDKit
Phenol has a strong odor that is sickeningly sweet and irritating. Phenol has powerful disinfectant and sanitizing qualities. It has been used as a topical anesthetic and antiseptic preservative, reagent and chemical reactant. Its use for direct addition to food is limited to a role as a flavoring ingredient in a few foods at a maximum level below 10 ppm.📖 Fenaroli

Sensory Thresholds

Odor Detection Threshold5.4219 ppm (n=26)📖 van Gemert

Regulatory Status

IOFI ClassificationNature Identical📖 Fenaroli
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: DTXSID5021124

Physical Properties

Molecular Weight 94.113 g/mol🔬 EPA CompTox
Density 1.062 g/cm^3🔬 EPA CTX
Boiling Point 181.875 °C🔬 EPA CTX
Melting Point 41.369 °C🔬 EPA CTX
Flash Point 79.854 °C🔬 EPA CTX
Refractive Index 1.553 Dimensionless📊 OPERA
Molar Volume 87.863 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 1.46 Log10 unitless🔬 EPA CTX
LogD (pH 5.5) 1.544 Log10 unitless📊 OPERA
LogD (pH 7.4) 1.543 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 4.8 Log10 unitless📊 OPERA
Water Solubility 0.919 mol/L🔬 EPA CTX
Henry's Law Constant 0 atm-m3/mole🔬 EPA CTX

Transport Properties

Vapor Pressure 0.332 mmHg🔬 EPA CTX
Viscosity 5.397 cP📊 OPERA
Surface Tension 38.782 dyn/cm📊 OPERA
Thermal Conductivity 150.008 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 0 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 28.134 cm^3/mol📊 OPERA
Polarizability 11.153 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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