p-Tolualdehyde (CAS 104-87-0) — Floral Top to Middle Note Fragrance Ingredient

ByThe Good Scents
Floral · Sweet

p-Tolualdehyde

CAS 104-87-0

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

What Is p-Tolualdehyde?

p-Tolualdehyde is a synthetic aromatic aldehyde commonly used in perfumery for its floral, slightly spicy scent. It’s found in many household products like soaps and detergents. This ingredient matters because it adds a unique floral-spicy nuance to fragrances, often used to enhance floral bouquets or create oriental accords.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Potential sensitizer – use with care
CAS
104-87-0
Formula
Mixture
MW
Variable
Odor Family
Floral · Sweet
Layer 1 · Enthusiast

What Does p-Tolualdehyde Smell Like?

p-Tolualdehyde opens with a bright, floral note reminiscent of hyacinth or lilac, with a subtle spicy undertone. As it evolves, the floral character becomes more pronounced, blending into a heart that’s slightly powdery and sweet. The dry-down reveals a soft, woody base that lingers delicately on the skin.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Chanel No. 5(Chanel, 1921)

Used to enhance the floral bouquet, adding a spicy-floral nuance that complements the rose and jasmine heart.

Shalimar(Guerlain, 1925)

Adds a subtle floral-spicy accent to the vanilla and amber base, creating depth and complexity.

Layer 2

2D Molecular Structure

4-Methylbenzaldehyde

SMILES: CC1=CC=C(C=O)C=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

p-Tolualdehyde is an aromatic aldehyde with the formula C8H8O. It is synthesized through the oxidation of p-xylene or via the Gattermann-Koch reaction. The molecule features a benzene ring with an aldehyde group at the para position, contributing to its floral-spicy odor profile.

Physical & Chemical Properties

Boiling Point204 °C
Density1.019 g/cm³

Perfumer Guide

Note Position
Top to Middle
Volatility
Medium (1-2 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Adds floral-spicy nuance
Soaps/Detergents0.5-1%Up to 2%Enhances floral character

Classic Accords

+ Vanilla + Amber = Oriental + Rose + Jasmine = Floral Bouquet

Tip: Use p-Tolualdehyde to add a floral-spicy accent to floral or oriental compositions.

Alternatives & Comparisons

1
Benzaldehyde CAS 100-52-7

Used when a simpler, more almond-like floral note is desired.

2
Cinnamaldehyde CAS 104-55-2

Provides a stronger spicy note with less floral character.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not restricted by IFRA.

EU Allergen Declaration

Not listed as an EU allergen.

GHS Classification

H315 Skin irritation H319 Eye irritation

RIFM Assessment

RIFM assessment confirms safe use at current levels.

Sustainability

p-Tolualdehyde is synthesized from petrochemical sources, with no known major environmental concerns. Its production is efficient, with minimal waste.

Explore p-Tolualdehyde

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References

  1. PubChem: p-Tolualdehyde PubChem CID: 7804

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

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Ingredient Data Sheet

CAS 104-87-0

Physical Properties

Molecular Weight120.15 g/mol🔬 PubChem
LogP (Octanol-Water)2.1🔬 PubChem
Boiling Point204 °C🔬 EPA CompTox
Vapor Pressure0.25 mmHg @ 25°C📊 OPERA
Flash Point71.5 °C🔬 EPA CompTox
Involatility Index0.0246💻 Calculated
log Kp (skin permeability)-1.942💻 Calculated
SMILESCC1=CC=C(C=C1)C=O🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassSlow💻 Calculated
Persistence Score0.9 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsalmondcherrysweet• leffingwell
Functional Groupsaldehydearomatic💻 RDKit

Sensory Thresholds

Odor Detection Threshold0.0029 ppm (n=2)📖 van Gemert

Regulatory Status

IFRA ListedYes — see IFRA Standards for category limits⚖️ IFRA 51
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: DTXSID9041520

Physical Properties

Molecular Weight 120.151 g/mol🔬 EPA CompTox
Density 1.018 g/cm^3🔬 EPA CTX
Boiling Point 204.2 °C🔬 EPA CTX
Melting Point -6 °C🔬 EPA CTX
Flash Point 75.75 °C🔬 EPA CTX
Refractive Index 1.558 Dimensionless📊 OPERA
Molar Volume 117.375 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 1.937 Log10 unitless📊 OPERA
LogD (pH 5.5) 1.937 Log10 unitless📊 OPERA
LogD (pH 7.4) 1.937 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 4.44 Log10 unitless📊 OPERA
Water Solubility 0.017 mol/L🔬 EPA CTX
Henry's Law Constant 0 atm-m3/mole🔬 EPA CTX

Transport Properties

Vapor Pressure 0.251 mmHg🔬 EPA CTX
Viscosity 2.038 cP📊 OPERA
Surface Tension 38.374 dyn/cm📊 OPERA
Thermal Conductivity 139.293 mW/(m*K)📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 17.07 Ų💻 Computed
H-Bond Donors 0 count💻 Computed
H-Bond Acceptors 1 count💻 Computed
Rotatable Bonds 1 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 37.831 cm^3/mol📊 OPERA
Polarizability 14.997 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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