Vanillic Acid (CAS 121-34-6) — Base Note Fragrance Ingredient

ByThe Good Scents



gourmand

Vanillic Acid

CAS 121-34-6

Note
base
Volatility
very low
MW
168.2
Data as of: Jun 2026

What Is Vanillic Acid?

Vanillic Acid (CAS 121-34-6) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as dairy, milky and custard, placing it within the gourmand family as a base note with very low volatility. With a molecular weight of 168.2 (formula C8H8O4), it is handled by perfumers as a building block for compositions where a dairy character is desired. The data below is compiled from public chemical and regulatory sources.

Safety Profile

USE WITH AWARENESS

Generally safeUse with awarenessProfessional use
CAS
121-34-6
Formula
C8H8O4
MW
168.2
InChIKey
WKOLLVMJNQIZCI-UHFFFAOYSA-N
Vanillic Acid 2D structure

Vanillic Acid
C8H8O4
Layer 1 · Enthusiast

What Does Vanillic Acid Smell Like?

The odour profile of Vanillic Acid is reported as dairy, milky, custard, creamy, powdery, vanilla, bean. The dominant facet is its dairy character, with the remaining notes adding nuance and complexity. As a base note it contributes to the dry-down of a fragrance. Perceived intensity and exact character depend on concentration, the carrier and the surrounding accord.

Scent Profile

Profile derived from public odour-descriptor data; relative, not absolute.

Layer 2

2D Molecular Structure

Vanillic acid

SMILES: COC1=CC(=CC=C1O)C(O)=O

Chemistry & Properties

The Chemistry

Vanillic Acid has the molecular formula C8H8O4 and a molecular weight of 168.2 g/mol. Its canonical SMILES representation is COC1=C(C=CC(=C1)C(=O)O)O. Its reported log P (XLogP) of 1.40 indicates a moderately polar molecule, which informs how it partitions in a formula. Physical constants below are drawn from PubChem and EPA CompTox public datasets.

Physical & Chemical Properties

Molecular Weight 168.2 g/mol
Boiling Point 303.3 °C
Melting Point 212.3 °C
Flash Point 167.1 °C
Density 1.35 g/cm³
Vapor Pressure 2.94e-06 mmHg
Water Solubility 0.05 g/L
XLogP 1.40

Perfumer Guide

Note Position
Base
Volatility
Very Low
Primary Odour
Dairy

Alternatives & Comparisons

Ingredients occupying a similar odour space — useful as substitutes or companions when Vanillic Acid is unavailable or restricted.

1
Methyl para-tertiary-butyl phenylacetate CAS 3549-23-3

Shares chocolate, creamy, fruity character — a candidate substitute or companion in the same odour space.

2
Ethyl Vanillin Isobutyrate CAS 188417-26-7

Shares sweet, creamy, vanilla character — a candidate substitute or companion in the same odour space.

3
Fd&C Red No. 40 CAS 25956-17-6

Shares creamy, phenolic, spicy character — a candidate substitute or companion in the same odour space.

Layer 3

Safety & Regulatory

⚠ Regulatory Disclaimer

General reference only. IFRA, REACH and EU Cosmetics Regulation standards update periodically. Consult the current IFRA Standards Library before formulating. Not legal or regulatory advice.

IFRA Status

No IFRA restriction recorded in the data set. This is not a guarantee of unrestricted status — always confirm against the current IFRA Standards Library.

GHS Classification

Signal word: Warning

H315H319H335

Odour detection threshold (air): 17.32 ppb — a literature-curated value indicating its potency in the vapour phase.

Formulating with Vanillic Acid?

Open Vanillic Acid in Fragrance Studio (Pro) for the calibrated vapour-pressure curve, the modelled odour-threshold estimate, and the substitute-matching engine across 2,900+ aromachemicals.

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References & Sources

  1. PubChem Compound Summary (NIH) — search by InChIKey
  2. EPA CompTox Chemicals Dashboard — physicochemical & fate data
  3. IFRA Standards Library (49th / 51st Amendment)
Sources: PubChem (NIH) · EPA CompTox · IFRA Standards Library · public GHS classification. Odour descriptors are original editorial summaries of public profiles, not reproduced from any single proprietary source.

Data: PubChem (NIH), EPA CompTox, IFRA. Last reviewed: Jun 2026.

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Ingredient Data Sheet

CAS 121-34-6

Physical Properties

Molecular Weight168.15 g/mol🔬 PubChem
LogP (Octanol-Water)1.4🔬 PubChem
Boiling Point260 °C🔬 EPA CompTox
Vapor Pressure0 mmHg @ 25°C📊 OPERA
Flash Point149.4 °C🔬 EPA CompTox
log Kp (skin permeability)-2.732💻 Calculated
SMILESCOC1=C(C=CC(=C1)C(=O)O)O🔬 PubChem

Volatility & Performance

Fragrance NoteBase💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score6.7 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsodorless• leffingwell
Functional Groupsphenoletheraromatic💻 RDKit
“exposed to oxidation. In other words, Vanillin may "lose odor" when exposed to air.”📖 Arctander
4-Hydroxy-3-methoxy benzoic acid has a vanilla-like odor and taste.📖 Fenaroli

Flavor Notes (Arctander)

“Virtually odorless when pure. Slightly bitter taste in aqueous solution. The material, as such, has probably no application in perfumes or flavors.”📖 Arctander

Sensory Thresholds

Odor Detection Threshold17.3205 ppm (n=2)📖 van Gemert
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: DTXSID6059522

Physical Properties

Molecular Weight 168.148 g/mol🔬 EPA CompTox
Density 1.386 g/cm^3📊 OPERA
Boiling Point 305.591 °C📊 OPERA
Melting Point 212.385 °C🔬 EPA CTX
Flash Point 149.5 °C🔬 EPA CTX
Refractive Index 1.586 Dimensionless📊 OPERA
Molar Volume 124.395 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 1.43 Log10 unitless🔬 EPA CTX
LogD (pH 5.5) 0.251 Log10 unitless📊 OPERA
LogD (pH 7.4) -1.488 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 7.84 Log10 unitless📊 OPERA
Water Solubility 0.009 mol/L🔬 EPA CTX
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0 mmHg🔬 EPA CTX
Surface Tension 56.524 dyn/cm📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 66.76 Ų💻 Computed
H-Bond Donors 2 count💻 Computed
H-Bond Acceptors 3 count💻 Computed
Rotatable Bonds 2 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 41.743 cm^3/mol📊 OPERA
Polarizability 16.548 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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