(E)-.beta.-Ionone (CAS 79-77-6) — Floral Heart Note Fragrance Ingredient

Floral · Sweet

(E)-.beta.-Ionone

CAS 79-77-6

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

What Is (E)-.beta.-Ionone?

(E)-β-Ionone is a synthetic fragrance ingredient with a rich, woody-violet aroma. It’s commonly found in perfumes, soaps, and candles. This compound is prized for its ability to enhance floral and fruity notes while adding depth to woody accords.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
Safe in regulated products
Check for individual sensitivities
CAS
79-77-6
Formula
Mixture
MW
Variable
Odor Family
Floral · Sweet
Layer 1 · Enthusiast

What Does (E)-.beta.-Ionone Smell Like?

(E)-β-Ionone opens with a burst of violet-like sweetness, reminiscent of crushed berries and fresh violets. The heart evolves into a smooth, woody character with hints of raspberry jam and cedar. The dry-down is warm and slightly powdery, like expensive violet-scented stationery left in a sunlit wooden drawer.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Miss Dior(Dior, 1947)

Used to create the signature violet-woody accord that defines this classic fragrance.

Guerlain Insolence(Guerlain, 2006)

Provides the candied violet effect that makes this fragrance instantly recognizable.

Layer 2

2D Molecular Structure

beta-Ionone

SMILES: CC(=O)\C=C\C1=C(C)CCCC1(C)C

Chemistry, Properties & Perfumer Guide

The Chemistry

(E)-β-Ionone is a cyclic ketone belonging to the ionone family, which are derived from carotenoids. It’s synthesized through acid-catalyzed cyclization of pseudoionone. The (E)-configuration at the double bond is crucial for its characteristic odor profile.

Physical & Chemical Properties

Boiling Point266 °C
Density0.933 g/cm³

Perfumer Guide

Note Position
Heart
Volatility
Medium (2-4 hours)
Blending
Excellent
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Adds violet-woody character
Soap0.5-1%Up to 2%Stable in alkaline conditions

Classic Accords

+ Rose + Sandalwood = Classic Chypre + Vanilla + Tonka = Gourmand Floral

Tip: Use with ionones to enhance violet effects or with woody notes for depth.

Alternatives & Comparisons

1
α-Ionone CAS 127-41-3

More floral and less woody, used when a softer violet character is desired.

2
Methyl Ionone CAS 1335-46-2

More powdery and orris-like, for sophisticated violet-iris effects.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not restricted by IFRA.

RIFM Assessment

RIFM assessment confirms safe use at current levels in fragrance applications.

Sustainability

Synthetic production avoids agricultural impacts. Current manufacturing processes have relatively low environmental footprint compared to natural violet extraction.

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References

  1. Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
  2. PubChem CID 638014 PubChem

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

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Ingredient Data Sheet

CAS 79-77-6

Physical Properties

Molecular Weight192.3 g/mol🔬 PubChem
LogP (Octanol-Water)2.9🔬 PubChem
Boiling Point140 °C🔬 EPA CompTox
Vapor Pressure0.054 mmHg @ 25°C📊 OPERA
Flash Point112.8 °C🔬 EPA CompTox
Involatility Index0.0042💻 Calculated
log Kp (skin permeability)-1.814💻 Calculated
SMILESCC1=C(C(CCC1)(C)C)C=CC(=O)C🔬 PubChem

Volatility & Performance

Fragrance NoteTop💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score2.3 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsfruityvioletwoody• leffingwell
Functional Groupsketonealkene💻 RDKit
“"fruity" note. Not all perfumers find it fruity, and the general preference for one Ionone over the other as a perfume material also seems to vary. The common viewpoint is that beta-Ionone resembles Cedarwood and has a Raspberry-like undertone, while alpha-Ionone is the more typical Violet odor, sweeter, and less green than the beta-isomer.”📖 Arctander

Flavor Notes (Arctander)

“beta-Ionone is used in perfumery although not to the same extent as alpha-Ionone. The high production figures published in annual statistics for beta-Ionone include the amounts used in the Vitamin A industry, amounts which may exceed the net volume used in perfumes and flavors. It finds its way more”📖 Arctander

Sensory Thresholds

Odor Detection Threshold0 ppm📖 van Gemert

Regulatory Status

FEMA NumberFEMA 2595⚖️ FEMA GRAS
GRAS StatusGenerally Recognized as Safe⚖️ FEMA GRAS
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: DTXSID4021769

Physical Properties

Molecular Weight 192.302 g/mol🔬 EPA CompTox
Density 0.945 g/cm^3🔬 EPA CTX
Boiling Point 266.05 °C🔬 EPA CTX
Melting Point -44.333 °C🔬 EPA CTX
Flash Point 126 °C🔬 EPA CTX
Refractive Index 1.518 Dimensionless📊 OPERA
Molar Volume 203.651 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 4 Log10 unitless🔬 EPA CTX
LogD (pH 5.5) 3.882 Log10 unitless📊 OPERA
LogD (pH 7.4) 3.882 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 6.56 Log10 unitless📊 OPERA
Water Solubility 0.001 mol/L🔬 EPA CTX
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.054 mmHg🔬 EPA CTX
Surface Tension 32.901 dyn/cm📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 17.07 Ų💻 Computed
H-Bond Donors 0 count💻 Computed
H-Bond Acceptors 1 count💻 Computed
Rotatable Bonds 2 count💻 Computed
Aromatic Rings 0 count💻 Computed
Molar Refractivity 61.704 cm^3/mol📊 OPERA
Polarizability 24.461 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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