Hinokitiol (CAS 499-44-5) — Woody Top Note Fragrance Ingredient

ByThe Good Scents

Hinokitiol

CAS 499-44-5

Origin
Note
IFRA
Use with awareness
Data as of: Mar 2026

What Is Hinokitiol?

Hinokitiol is a naturally occurring compound found in the wood of certain cypress trees, particularly the Japanese hinoki. People encounter it in traditional medicine, wood products, and some personal care items for its antimicrobial properties. This pale yellow crystalline substance matters because it bridges traditional Eastern medicine with modern applications, offering both fragrance and functional benefits in formulations.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Natural antimicrobial properties
⚠ Skin sensitizer at high concentrations
CAS
499-44-5
Formula
Mixture
MW
Variable
Odor Family
Layer 1 · Enthusiast

What Does Hinokitiol Smell Like?

Hinokitiol presents a complex aromatic profile with woody, slightly smoky top notes reminiscent of aged cedar chests. The heart reveals medicinal nuances – think camphor meeting fresh pine sap – with a dry-down that lingers as a clean, antiseptic whisper. Its character evolves from sharp and penetrating to a softer, resinous warmth, leaving an almost metallic-mineral finish that distinguishes it from typical wood extracts.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Hinoki(Comme des Garçons, 2002)

This avant-garde fragrance showcases hinokitiol’s medicinal woodiness, using it to create a sauna-like steam effect that evokes Japanese forest bathing rituals. The ingredient provides both olfactory character and natural preservation.

Scent One: Hinoki(Monocle, 2008)

Here hinokitiol’s sharp, camphoraceous facets are balanced with citrus to recreate the experience of a traditional Japanese onsen, where the wood’s natural oils infuse the steam with therapeutic aromas.

Layer 2

2D Molecular Structure

beta-Thujaplicin

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

Chemistry, Properties & Perfumer Guide

The Chemistry

Hinokitiol (β-thujaplicin) is a monoterpenoid tropolone derivative, a seven-membered aromatic ring with a hydroxyl and carbonyl group. This unique structure gives it both chelating properties and antimicrobial activity. While naturally occurring in Cupressaceae family trees, it’s typically synthesized from isopropyltropolone for commercial use. The planar tropolone ring system allows for interesting metal complexation behavior, which contributes to both its biological activity and stability in formulations.

Physical & Chemical Properties

AppearancePale yellow crystals
Melting Point50-52 °C

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-6 hours)
Blending
Moderate
ApplicationTypical %RangeNotes
Fine Fragrance0.1-0.5%Up to 1%Used for woody-medicinal accents
Cosmetics0.01-0.1%Up to 0.2%Functional fragrance with antimicrobial benefits

Classic Accords

+ Cedar + Vetiver = Deep woody therapeutic + Eucalyptus + Mint = Medicated balm effect

Tip: Stabilize in ethanol before adding to oil phases to prevent crystallization.

Alternatives & Comparisons

1
Guaiazulene CAS 489-84-9

For similar medicinal-woody profiles without metal chelation properties. Azulene structure provides color stability where hinokitiol may complex with metals.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA standards.

GHS Classification

H315 Skin irritation H319 Eye irritation

RIFM Assessment

RIFM has evaluated hinokitiol as safe at current use levels in fragrance applications.

Sustainability

While traditionally sourced from slow-growing hinoki cypress, most commercial hinokitiol is now synthesized, reducing pressure on old-growth forests. The synthetic route has moderate environmental impact due to organic solvents used in production. Biodegradability studies show favorable breakdown profiles in aquatic systems.

Explore Hinokitiol

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References

  1. Nagai H. et al. (2017). Biological Properties and Applications of Hinokitiol. Applied Microbiology and Biotechnology. PMID 28280881

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

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Ingredient Data Sheet

CAS 499-44-5

Physical Properties

Molecular Weight164.2 g/mol🔬 PubChem
LogP (Octanol-Water)2.1🔬 PubChem
Boiling Point140 °C🔬 EPA CompTox
log Kp (skin permeability)-2.211💻 Calculated
SMILESCC(C)C1=CC(=O)C(=CC=C1)O🔬 PubChem

Volatility & Performance

Fragrance NoteTop💻 Calculated

Odor & Flavor

Primary Descriptorsphenolicwoody• leffingwell
Functional Groupsphenolaromatic💻 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: DTXSID6043911

Physical Properties

Molecular Weight 164.204 g/mol🔬 EPA CompTox
Density 1.117 g/cm^3📊 OPERA
Boiling Point 270.358 °C📊 OPERA
Melting Point 52.25 °C🔬 EPA CTX
Flash Point 126.123 °C📊 OPERA
Refractive Index 1.554 Dimensionless📊 OPERA
Molar Volume 145.652 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 1.867 Log10 unitless🔬 EPA CTX
LogD (pH 5.5) 1.782 Log10 unitless📊 OPERA
LogD (pH 7.4) 1.628 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 5.73 Log10 unitless📊 OPERA
Water Solubility 0.007 mol/L🔬 EPA CTX
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.003 mmHg📊 OPERA
Surface Tension 39.603 dyn/cm📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 37.3 Ų💻 Computed
H-Bond Donors 1 count💻 Computed
H-Bond Acceptors 2 count💻 Computed
Rotatable Bonds 1 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 46.671 cm^3/mol📊 OPERA
Polarizability 18.502 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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