1-Oxaspiro[4.5]decan-2-one (CAS 699-61-6) — Woody Middle to base Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

1-Oxaspiro[4.5]decan-2-one

CAS 699-61-6

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

What Is 1-Oxaspiro[4.5]decan-2-one?

1-Oxaspiro[4.5]decan-2-one is a synthetic fragrance ingredient used in modern perfumery. It’s found in niche and avant-garde fragrances where unique woody-spicy notes are desired. This compound adds depth and complexity to fragrance compositions, often creating intriguing olfactory effects that distinguish luxury scents from mainstream offerings.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major safety concerns reported
⚠ Limited toxicological data available
CAS
699-61-6
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does 1-Oxaspiro[4.5]decan-2-one Smell Like?

1-Oxaspiro[4.5]decan-2-one presents a complex olfactory profile that evolves intriguingly. Initially, it offers a crisp, slightly camphoraceous opening with subtle woody undertones. As it develops, the scent reveals a warm, ambery-spicy character reminiscent of aged woods and dry resins. The dry-down lingers with a sophisticated musk-like persistence, creating a velvety trail. Its multifaceted nature makes it particularly valuable for adding depth to modern woody-oriental compositions.

Scent Profile
Layer 2

2D Molecular Structure

1-Oxaspiro[4.5]decan-2-one

SMILES: O=C1CCC2(CCCCC2)O1

Chemistry, Properties & Perfumer Guide

The Chemistry

1-Oxaspiro[4.5]decan-2-one belongs to the class of cyclic ketones with a spiro structure. Its unique molecular architecture combines a gamma-lactone moiety with a cyclohexane ring system. Synthesized through specialized organic reactions, this compound demonstrates how structural complexity can create novel olfactory properties. The spiro center introduces conformational rigidity that likely contributes to its distinctive scent profile.

Physical & Chemical Properties

Perfumer Guide

Note Position
Middle to base
Volatility
Moderate (2-6 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Used for woody-amber nuances
Functional Fragrance0.1-0.5%Up to 1%For sophisticated background notes

Classic Accords

Tip: Use sparingly to add mysterious depth to woody compositions.

Alternatives & Comparisons

1
Ambroxan CAS 6790-58-5

For similar woody-amber effects but with more pronounced diffusion.

2
Norlimbanol CAS 70788-30-6

When seeking more pronounced woody dryness with less sweetness.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA standards.

RIFM Assessment

No RIFM assessment currently available for this compound.

Sustainability

As a synthetic material, 1-Oxaspiro[4.5]decan-2-one offers sustainability advantages by avoiding natural resource depletion. Its production can be optimized for minimal environmental impact through green chemistry principles. Being petroleum-derived, its carbon footprint depends on manufacturing processes and energy sources.

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References

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

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    Ingredient Data Sheet

    CAS 699-61-6

    Physical Properties

    Molecular Weight154.21 g/mol🔬 PubChem
    LogP (Octanol-Water)1.8🔬 PubChem
    Boiling Point209 °C🔬 EPA CompTox
    Vapor Pressure0.0513 mmHg @ 25°C📊 OPERA
    Flash Point102.7 °C🔬 EPA CompTox
    Involatility Index0.0045💻 Calculated
    log Kp (skin permeability)-2.363💻 Calculated
    SMILESC1CCC2(CC1)CCC(=O)O2🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score1.9 / 5💻 Calculated

    Odor & Flavor

    Functional Groupsesterether💻 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: DTXSID2052445

    Physical Properties

    Molecular Weight 154.209 g/mol🔬 EPA CompTox
    Density 1.063 g/cm^3📊 OPERA
    Boiling Point 243.093 °C📊 OPERA
    Melting Point 60.231 °C📊 OPERA
    Flash Point 106.425 °C📊 OPERA
    Refractive Index 1.489 Dimensionless📊 OPERA
    Molar Volume 143.796 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.137 Log10 unitless📊 OPERA
    LogD (pH 5.5) 2.137 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.137 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.74 Log10 unitless📊 OPERA
    Water Solubility 0.033 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.024 mmHg📊 OPERA
    Viscosity 2.619 cP📊 OPERA
    Surface Tension 36.407 dyn/cm📊 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 0 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 41.496 cm^3/mol📊 OPERA
    Polarizability 16.45 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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