Dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2) henicosan-20-yl)propionate (CAS 85099-51-0) — Woody Middle to base Note Fragrance Ingredient

ByThe Good Scents
Woody · Musky

Dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2) henicosan-20-yl)propionate

CAS 85099-51-0

Origin
synthetic
Note
Middle to base
IFRA
Use with awareness
Data as of: Apr 2026

What Is Dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2) henicosan-20-yl)propionate?

Dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2) henicosan-20-yl)propionate is a synthetic fragrance ingredient primarily used in fine perfumery. It’s found in premium personal care products and niche fragrances. This complex molecule contributes unique olfactory properties that enhance modern fragrance compositions. Its intricate structure allows perfumers to create distinctive scent profiles that stand out in competitive markets.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Approved for cosmetic use
⚠ Limited safety data available
CAS
85099-51-0
Formula
Mixture
MW
Variable
Odor Family
Woody · Musky
Layer 1 · Enthusiast

What Does Dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2) henicosan-20-yl)propionate Smell Like?

This synthetic molecule presents a sophisticated olfactory profile with subtle woody-amber nuances layered over a clean musk foundation. The initial impression suggests polished laboratory glassware with a faint metallic edge that quickly evolves into a warm, skin-like diffusion. As it dries down, it reveals a discreet powdery character reminiscent of vintage cosmetic formulations, balanced by a contemporary synthetic freshness that prevents heaviness.

Scent Profile
Layer 2

2D Molecular Structure

7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, dodecyl ester

SMILES: CCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC11CCCCCCCCCCC1

Chemistry, Properties & Perfumer Guide

The Chemistry

Dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2) henicosan-20-yl)propionate belongs to the class of complex synthetic esters with a spirocyclic structure. Its synthesis involves multi-step reactions including esterification and cyclization processes. The molecule’s rigid framework contributes to its stability and controlled release properties in fragrance applications. While specific synthesis routes are proprietary, the compound’s architecture suggests careful control of stereochemistry during production to ensure consistent olfactory performance.

Physical & Chemical Properties

AppearanceColorless to pale yellow liquid
SolubilitySoluble in alcohol and oils

Perfumer Guide

Note Position
Middle to base
Volatility
Moderate (2-6 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 3%Used as a subtle modifier
Personal Care0.1-0.5%Up to 1%Provides longevity

Classic Accords

Tip: Use in trace amounts to add sophistication without overwhelming other notes.

Alternatives & Comparisons

1
Ambroxide CAS 6790-58-5

Offers similar woody-amber characteristics with more established safety data and broader industry acceptance.

2
Cashmeran CAS 33704-61-9

Provides comparable musk-woody effects with better documentation of performance in various applications.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific IFRA restrictions currently apply to this material.

RIFM Assessment

Limited safety assessment data available; recommended to follow general ester handling precautions.

Sustainability

As a synthetic material, this ingredient avoids natural resource depletion concerns. Its environmental impact depends on manufacturing processes, which typically involve petrochemical feedstocks. The complex synthesis route suggests higher energy requirements compared to simpler fragrance molecules. Proper handling during production minimizes potential waste stream issues.

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References

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

    Report a data error

    Ingredient Data Sheet

    CAS 85099-51-0

    Physical Properties

    Molecular Weight604.9 g/mol🔬 PubChem
    LogP (Octanol-Water)10.9🔬 PubChem
    Boiling Point470 °C🔬 EPA CompTox
    Vapor Pressure0 mmHg @ 25°C📊 OPERA
    Flash Point371 °C🔬 EPA CompTox
    log Kp (skin permeability)1.349💻 Calculated
    SMILESCCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(NC(C2)(C)C)(C)C)OC13CCCCCCCCCCC3🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated

    Odor & Flavor

    Functional Groupsesteretheramine💻 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: DTXSID5074634

    Physical Properties

    Molecular Weight 604.961 g/mol🔬 EPA CompTox
    Density 0.962 g/cm^3📊 OPERA
    Boiling Point 560.073 °C📊 OPERA
    Melting Point 119.396 °C📊 OPERA
    Flash Point 333.709 °C📊 OPERA
    Refractive Index 1.511 Dimensionless📊 OPERA
    Molar Volume 596.38 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 10.095 Log10 unitless📊 OPERA
    LogD (pH 5.5) 7.158 Log10 unitless📊 OPERA
    LogD (pH 7.4) 8.389 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 10.57 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg📊 OPERA
    Surface Tension 41.614 dyn/cm📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 67.87 Ų💻 Computed
    H-Bond Donors 1 count💻 Computed
    H-Bond Acceptors 5 count💻 Computed
    Rotatable Bonds 14 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 178.534 cm^3/mol📊 OPERA
    Polarizability 70.776 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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