9,10-Anthracenedione, 1,4-bis(butylamino)- (CAS 17354-14-2) — Citrus N/A Note Fragrance Ingredient

ByThe Good Scents
Citrus · Floral

9,_10-_Anthracenedione, 1,_4-_bis(butylamino)_-

CAS 17354-14-2

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

What Is 9,_10-_Anthracenedione, 1,_4-_bis(butylamino)_-?

1,4-bis(butylamino)-9,10-anthracenedione is a synthetic dye compound primarily used in industrial applications. Consumers may encounter it in specialized inks or as a colorant in certain plastics. This anthraquinone derivative matters for its unique chromatic properties, though it has limited direct consumer fragrance applications due to its synthetic nature and industrial focus.

Safety Profile

PROFESSIONAL USE
Generally safeUse with awarenessProfessional use
⚠ Industrial handling precautions required
✗ Not for cosmetic/fragrance use
CAS
17354-14-2
Formula
Mixture
MW
Variable
Odor Family
Citrus · Floral
Layer 1 · Enthusiast

What Does 9,_10-_Anthracenedione, 1,_4-_bis(butylamino)_- Smell Like?

This anthraquinone derivative exhibits minimal olfactory characteristics, presenting primarily as a neutral chemical odor with faint waxy undertones. The scent profile lacks distinct top/heart/base evolution, remaining consistently flat with a dry-down that suggests synthetic hydrocarbons. No notable fragrance qualities emerge during evaporation.

Layer 2

2D Molecular Structure

1,4-Bis(butylamino)anthracene-9,10-dione

SMILES: CCCCNC1=CC=C(NCCCC)C2=C1C(=O)C1=C(C=CC=C1)C2=O

Chemistry, Properties & Perfumer Guide

The Chemistry

1,4-bis(butylamino)-9,10-anthracenedione belongs to the anthraquinone dye class, synthesized through nucleophilic substitution reactions on anthraquinone precursors. The butylamino groups confer solubility in organic solvents while maintaining the chromophore’s stability. Industrial synthesis typically involves high-temperature reactions with butylamine under controlled conditions.

Physical & Chemical Properties

ColorDark crystalline solid
Primary UseIndustrial dye

Perfumer Guide

Note Position
N/A
Volatility
N/A
Blending
N/A
ApplicationTypical %RangeNotes
IndustrialN/AN/ASpecialized colorant applications only

Classic Accords

Tip: Not recommended for fragrance applications due to industrial nature.

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 – industrial compound outside fragrance scope.

RIFM Assessment

No RIFM assessment – industrial material.

Sustainability

This synthetic compound is produced through petrochemical routes with standard industrial environmental controls. No known natural sources exist. Lifecycle considerations focus on industrial waste management rather than cosmetic sustainability metrics.

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References

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

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    Ingredient Data Sheet

    CAS 17354-14-2

    Physical Properties

    Molecular Weight350.5 g/mol🔬 PubChem
    LogP (Octanol-Water)6.4🔬 PubChem
    Boiling Point401 °C🔬 EPA CompTox
    Vapor Pressure0 mmHg @ 25°C📊 OPERA
    Flash Point237.2 °C🔬 EPA CompTox
    log Kp (skin permeability)-0.294💻 Calculated
    SMILESCCCCNC1=C2C(=C(C=C1)NCCCC)C(=O)C3=CC=CC=C3C2=O🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated

    Odor & Flavor

    Primary Descriptorscitrusfloral• leffingwell
    Functional Groupsketonearomaticamine💻 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: DTXSID5044605

    Physical Properties

    Molecular Weight 350.462 g/mol🔬 EPA CompTox
    Density 0.787 g/cm^3🔬 EPA CTX
    Boiling Point 472.293 °C📊 OPERA
    Melting Point 121.5 °C🔬 EPA CTX
    Flash Point 212.231 °C📊 OPERA
    Refractive Index 1.63 Dimensionless📊 OPERA
    Molar Volume 297.019 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.458 Log10 unitless📊 OPERA
    LogD (pH 5.5) 4.004 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.445 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 9.56 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L🔬 EPA CTX
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg📊 OPERA
    Surface Tension 54.86 dyn/cm📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 58.2 Ų💻 Computed
    H-Bond Donors 2 count💻 Computed
    H-Bond Acceptors 4 count💻 Computed
    Rotatable Bonds 8 count💻 Computed
    Aromatic Rings 2 count💻 Computed
    Molar Refractivity 105.685 cm^3/mol📊 OPERA
    Polarizability 41.897 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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