Oxacyclohexadec-13-en-2-one, (13Z)- (CAS 111879-81-3) — Musky Base Note Fragrance Ingredient

ByThe Good Scents
Musky · Woody

Oxacyclohexadec-13-en-2-one, (13Z)-

CAS 111879-81-3

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

What Is Oxacyclohexadec-13-en-2-one, (13Z)-?

Oxacyclohexadec-13-en-2-one is a synthetic musk used in modern perfumes. It provides a clean, long-lasting scent that lingers on skin and fabrics. This ingredient matters because it mimics natural musks without environmental concerns, offering a sustainable alternative for fragrance longevity.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Check for skin sensitivity
CAS
111879-81-3
Formula
Mixture
MW
Variable
Odor Family
Musky · Woody
Layer 1 · Enthusiast

What Does Oxacyclohexadec-13-en-2-one, (13Z)- Smell Like?

This synthetic musk delivers a clean, slightly sweet, and powdery scent with a subtle animalic undertone. It evolves from a fresh opening to a warm, skin-like dry-down, reminiscent of sun-washed linen. The scent is persistent, with a velvety texture that blends seamlessly with other notes.

Scent Profile
Layer 2

2D Molecular Structure

(13Z)-Oxacyclohexadec-13-en-2-one

SMILES: O=C1CCCCCCCCCC\C=C/CCO1

Chemistry, Properties & Perfumer Guide

The Chemistry

Oxacyclohexadec-13-en-2-one is a macrocyclic musk, part of a class known for their stability and low volatility. It is synthesized through ring-closing metathesis or other advanced organic chemistry techniques. These musks are prized for their biodegradability and reduced environmental impact compared to older synthetic musks.

Physical & Chemical Properties

Boiling PointN/A
DensityN/A

Perfumer Guide

Note Position
Base
Volatility
Low (hours to days)
Blending
Excellent
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Provides longevity and warmth
Personal Care0.5-3%Up to 5%Enhances scent retention

Classic Accords

Tip: Use in base notes to enhance longevity without overpowering other ingredients.

Alternatives & Comparisons

1
Ethylene Brassylate CAS 105-95-3

A more affordable macrocyclic musk with similar clean, powdery characteristics.

2
Galaxolide CAS 1222-05-5

A stronger, more diffusive musk for formulations requiring greater impact.

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

RIFM assessment confirms safety at current usage levels.

Sustainability

This synthetic musk is designed to be biodegradable, reducing environmental impact compared to traditional musks. Its production avoids animal-derived materials, aligning with modern ethical standards.

Explore Oxacyclohexadec-13-en-2-one, (13Z)-

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References

  1. PubChem PubChem
  2. IFRA Standards IFRA

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

Report a data error

Layer 3 · Practical

  • Molecular Weight: 238.37 g/mol
  • LogP (XLogP): 5.40

Ingredient Data Sheet

CAS 111879-81-3

Physical Properties

Molecular Weight238.37 g/mol🔬 PubChem
LogP (Octanol-Water)5.4🔬 PubChem
Boiling Point337.5 °C🔬 EPA CompTox
Vapor Pressure0 mmHg @ 25°C📊 OPERA
Flash Point163.8 °C🔬 EPA CompTox
log Kp (skin permeability)-0.32💻 Calculated
SMILESC1CCCCCC(=O)OCCC=CCCCC1🔬 PubChem

Volatility & Performance

Fragrance NoteBase💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score13.8 / 5💻 Calculated

Odor & Flavor

Functional Groupsesteretheralkene💻 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: DTXSID10888851

Physical Properties

Molecular Weight 238.371 g/mol🔬 EPA CompTox
Density 0.936 g/cm^3📊 OPERA
Boiling Point 337.453 °C📊 OPERA
Melting Point 35.633 °C📊 OPERA
Flash Point 163.81 °C📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 4.391 dimensionless💻 Computed
Water Solubility 0 mol/L📊 OPERA

Transport Properties

Vapor Pressure 0 mmHg📊 OPERA
Viscosity 5.393 cP📊 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 70.89 cm^3/mol💻 Computed

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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