4-Thujanol (CAS 546-79-2) — Green Top to middle Note Fragrance Ingredient

ByThe Good Scents
Green · Woody

4-Thujanol

CAS 546-79-2

Origin
synthetic
Note
Top to middle
IFRA
Professional use
Data as of: Apr 2026

What Is 4-Thujanol?

4-Thujanol is a synthetic fragrance compound rarely encountered in consumer products, primarily used in niche perfumery. It contributes fresh, herbal nuances to compositions. This ingredient matters as a subtle modifier that can add naturalistic woody-herbal facets without overpowering a fragrance, though its use is uncommon due to availability of more stable alternatives.

Safety Profile

PROFESSIONAL USE
Generally safeUse with awarenessProfessional use
⚠ Limited safety data available
⚠ Professional handling recommended
CAS
546-79-2
Formula
Mixture
MW
Variable
Odor Family
Green · Woody
Layer 1 · Enthusiast

What Does 4-Thujanol Smell Like?

4-Thujanol presents a crisp, green-herbal character reminiscent of crushed thyme leaves with a faintly camphoraceous edge. The aroma evolves from an initial sharpness to reveal subtle woody undertones, drying down to a clean, slightly balsamic whisper. It lacks the sweeter facets of its structural relatives, offering instead a transparent, almost watercolor-like herbal effect that works well for modern minimalist compositions.

Scent Profile
Layer 2

2D Molecular Structure

Sabinene hydrate

SMILES: CC(C)C12CC1C(C)(O)CC2

Chemistry, Properties & Perfumer Guide

The Chemistry

4-Thujanol belongs to the monoterpene alcohol class, structurally related to thujone but without its neurotoxic potential. It can be synthesized through selective hydrogenation of thujone derivatives or via isomerization of sabinene hydrate. The molecule exists in multiple stereoisomeric forms, with the 4R configuration being most odor-active. Its instability under acidic conditions limits widespread use in fragrance applications.

Physical & Chemical Properties

Perfumer Guide

Note Position
Top to middle
Volatility
Medium (2-4 hours)
Blending
Moderate
ApplicationTypical %RangeNotes
Fine Fragrance0.1-0.5%Up to 1%Used as herbal accent
Functional Products0.01-0.1%Up to 0.2%Rarely used due to stability issues

Classic Accords

Tip: Stabilize with antioxidants in acidic formulations.

Alternatives & Comparisons

1
Sabinene hydrate CAS 546-79-2

Offers similar green-herbal notes with better stability in formulations.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA.

RIFM Assessment

No RIFM assessment available.

Sustainability

As a synthetic material, 4-Thujanol avoids agricultural impacts but requires energy-intensive chemical processing. Limited production scale reduces environmental footprint but also makes it a niche choice. Future green chemistry approaches may improve its sustainability profile.

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References

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

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    Physicochemical Properties

    DTXSID: DTXSID40862164

    Physical Properties

    Molecular Weight 154.253 g/mol🔬 EPA CompTox
    Density 0.992 g/cm^3📊 OPERA
    Boiling Point 210.879 °C📊 OPERA
    Melting Point 87.62 °C📊 OPERA
    Flash Point 78.908 °C📊 OPERA
    Refractive Index 1.522 Dimensionless📊 OPERA
    Molar Volume 149.752 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.924 Log10 unitless📊 OPERA
    LogD (pH 5.5) 2.924 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.924 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 6.57 Log10 unitless📊 OPERA
    Water Solubility 0.012 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.057 mmHg📊 OPERA
    Viscosity 4.642 cP📊 OPERA
    Surface Tension 35.561 dyn/cm📊 OPERA
    Thermal Conductivity 122.736 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 1 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 45.692 cm^3/mol📊 OPERA
    Polarizability 18.114 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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