Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1a,2a,5b)- (CAS 2230-87-7) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Green

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1a,2a,5b)-

CAS 2230-87-7

Origin
synthetic
Note
Middle
IFRA
Generally safe
Data as of: Apr 2026

What Is Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1a,2a,5b)-?

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate is a synthetic fragrance ingredient used in perfumery. It contributes to complex scent profiles in fine fragrances and personal care products. This molecule matters because it helps create nuanced woody and herbal accords, adding depth and longevity to fragrance compositions.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Check for skin sensitivity
CAS
2230-87-7
Formula
Mixture
MW
Variable
Odor Family
Woody · Green
Layer 1 · Enthusiast

What Does Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1a,2a,5b)- Smell Like?

This synthetic molecule offers a crisp, woody-herbal character with subtle fruity undertones. Initially sharp and slightly camphoraceous, it evolves into a smoother, more rounded aroma reminiscent of dried herbs and aged wood. The dry-down reveals a faintly sweet, resinous quality that blends seamlessly with other woody notes.

Scent Profile
Layer 2

2D Molecular Structure

Neomenthol acetate

SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(C)=O

Chemistry, Properties & Perfumer Guide

The Chemistry

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate is a synthetic ester derived from menthol-like structures. Its stereochemistry (1a,2a,5b configuration) significantly impacts its odor profile. Produced through esterification of corresponding alcohols with acetic anhydride, this molecule exhibits good stability in fragrance formulations.

Physical & Chemical Properties

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-6 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Woody-herbal modifier
Personal Care0.5-3%Up to 5%Background note

Classic Accords

Tip: Use as a bridge between citrus top notes and woody base notes.

Alternatives & Comparisons

1
Menthyl acetate CAS 89-48-5

Offers similar minty-woody characteristics with higher volatility.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions currently apply.

RIFM Assessment

Not currently evaluated by RIFM.

Sustainability

As a synthetic material, this ingredient avoids natural resource depletion concerns. Modern manufacturing processes aim to minimize environmental impact through efficient catalysis and solvent recovery systems.

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References

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

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    Ingredient Data Sheet

    CAS 2230-87-7

    Physical Properties

    Molecular Weight198.3 g/mol🔬 PubChem
    LogP (Octanol-Water)3.6🔬 PubChem
    Boiling Point227 °C🔬 EPA CompTox
    Vapor Pressure0.05 mmHg @ 25°C📊 OPERA
    Involatility Index0.0038💻 Calculated
    log Kp (skin permeability)-1.354💻 Calculated

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score2.6 / 5💻 Calculated
    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: DTXSID701026541

    Physical Properties

    Molecular Weight 198.306 g/mol🔬 EPA CompTox
    Density 0.921 g/cm^3📊 OPERA
    Boiling Point 225.82 °C📊 OPERA
    Melting Point 11.753 °C📊 OPERA
    Flash Point 88.444 °C📊 OPERA
    Refractive Index 1.448 Dimensionless📊 OPERA
    Molar Volume 213.941 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.248 Log10 unitless📊 OPERA
    LogD (pH 5.5) 4.248 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.248 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.88 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.1 mmHg📊 OPERA
    Viscosity 5.493 cP📊 OPERA
    Surface Tension 29.141 dyn/cm📊 OPERA
    Thermal Conductivity 123.772 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 26.3 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 2 count💻 Computed
    Rotatable Bonds 2 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 57.327 cm^3/mol📊 OPERA
    Polarizability 22.726 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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