N-Benzoylanthranilic acid (CAS 579-93-1) — Citrus N/A Note Fragrance Ingredient

ByThe Good Scents
Citrus · Floral

N-Benzoylanthranilic acid

CAS 579-93-1

Origin
synthetic
Note
N/A
IFRA
Professional use
Data as of: Apr 2026

What Is N-Benzoylanthranilic acid?

N-Benzoylanthranilic acid is a synthetic compound primarily used in pharmaceutical and industrial applications, not commonly encountered in consumer products. While not a traditional fragrance ingredient, it serves as a precursor in some specialized aromatic syntheses.

Safety Profile

PROFESSIONAL USE
Generally safeUse with awarenessProfessional use
⚠ Limited fragrance use data
✗ Not for amateur formulation
CAS
579-93-1
Formula
Mixture
MW
Variable
Odor Family
Citrus · Floral
Layer 1 · Enthusiast

What Does N-Benzoylanthranilic acid Smell Like?

This compound is not typically used for its olfactory properties in perfumery. As a pharmaceutical intermediate, it may exhibit faint aromatic characteristics under controlled conditions, but lacks the complexity or desirability of traditional fragrance materials.

Layer 2

2D Molecular Structure

N-Benzoylanthranilic acid

SMILES: OC(=O)C1=CC=CC=C1NC(=O)C1=CC=CC=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

N-Benzoylanthranilic acid belongs to the benzamide class of compounds, formed through the condensation of anthranilic acid with benzoyl chloride. Its primary industrial use is as a precursor in pharmaceutical synthesis rather than fragrance applications. The molecule features both amide and carboxylic acid functional groups, contributing to its crystalline structure and limited volatility.

Physical & Chemical Properties

Perfumer Guide

Note Position
N/A
Volatility
N/A
Blending
N/A
ApplicationTypical %RangeNotes

Classic Accords

Tip: Not recommended for perfumery applications.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not evaluated by IFRA for fragrance use.

RIFM Assessment

No RIFM safety assessment available for fragrance use.

Sustainability

As an industrial chemical with limited fragrance applications, sustainability considerations focus mainly on responsible manufacturing practices rather than natural sourcing or biodegradability concerns typical of perfumery ingredients.

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References

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

    Report a data error

    Layer 3 · Practical

    • Molecular Weight: 240.23 g/mol
    • LogP (XLogP): 4.20

    Ingredient Data Sheet

    CAS 579-93-1

    Physical Properties

    Molecular Weight240.23 g/mol🔬 PubChem
    LogP (Octanol-Water)4.2🔬 PubChem
    Boiling Point341.5 °C🔬 EPA CompTox
    Vapor Pressure0 mmHg @ 25°C📊 OPERA
    Flash Point160.6 °C🔬 EPA CompTox
    log Kp (skin permeability)-1.183💻 Calculated
    SMILESC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)[O-]🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated

    Odor & Flavor

    Functional Groupsaromatic💻 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: DTXSID40206620

    Physical Properties

    Molecular Weight 241.246 g/mol🔬 EPA CompTox
    Density 1.339 g/cm^3📊 OPERA
    Boiling Point 341.5 °C🔬 EPA CTX
    Melting Point 181.5 °C🔬 EPA CTX
    Flash Point 184.297 °C📊 OPERA
    Refractive Index 1.673 Dimensionless📊 OPERA
    Molar Volume 180.834 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.54 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 1.461 Log10 unitless📊 OPERA
    LogD (pH 7.4) -0.023 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 9.17 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg📊 OPERA
    Surface Tension 62.782 dyn/cm📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 66.4 Ų💻 Computed
    H-Bond Donors 2 count💻 Computed
    H-Bond Acceptors 2 count💻 Computed
    Rotatable Bonds 3 count💻 Computed
    Aromatic Rings 2 count💻 Computed
    Molar Refractivity 67.758 cm^3/mol📊 OPERA
    Polarizability 26.862 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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