Citronellyl formate (CAS 105-85-1) — Floral Top to middle Note Fragrance Ingredient

ByThe Good Scents
Floral · Sweet

Citronellyl formate

CAS 105-85-1

Origin
synthetic
Note
Top to middle
IFRA
Generally safe
Data as of: Apr 2026

What Is Citronellyl formate?

Citronellyl formate is a floral-fruity synthetic ingredient used in perfumes and scented products. It’s commonly found in soaps, air fresheners, and body care items for its fresh, rosy aroma. This ester is valued for its ability to add naturalistic floralcy to synthetic blends while being more stable and affordable than some natural alternatives.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major restrictions
✓ Not classified as an allergen
CAS
105-85-1
Formula
Mixture
MW
Variable
Odor Family
Floral · Sweet
Layer 1 · Enthusiast

What Does Citronellyl formate Smell Like?

Citronellyl formate bursts with a radiant, dewy rose character reminiscent of fresh petals at dawn. The opening has a crisp green apple brightness that quickly mellows into a honeyed rose heart with subtle citrus undertones. As it dries down, it reveals a soft musky-woody base that adds persistence without heaviness. The overall effect is like walking through a sunlit rose garden where the flowers mingle with ripening orchard fruits.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Rose Absolue(Goutal, 2005)

Used here to amplify the rosy freshness while adding a fruity dimension that prevents the composition from becoming too powdery.

Miss Dior Rose N'Roses(Dior, 2021)

Provides the sparkling top note that bridges the citrus opening and floral heart, creating a seamless transition.

Rose Omeyyade(Atelier des Ors, 2018)

Adds necessary freshness to counterbalance the dense amber base, preventing the rose from becoming cloying.

Layer 2

2D Molecular Structure

Citronellyl formate

SMILES: CC(CCOC=O)CCC=C(C)C

Chemistry, Properties & Perfumer Guide

The Chemistry

Citronellyl formate is an ester formed from citronellol and formic acid. Being synthetic, it’s typically produced via acid-catalyzed esterification under controlled conditions to prevent unwanted byproducts. The molecule’s ester group contributes to its floral-fruity character while the terpene backbone provides stability and moderate volatility. Unlike some natural floral compounds, it doesn’t undergo significant oxidation over time.

Physical & Chemical Properties

Boiling PointNot available
DensityNot available
AppearanceColorless to pale yellow liquid

Perfumer Guide

Note Position
Top to middle
Volatility
Moderate (1-3 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Rose modifier
Soap0.5-2%Up to 3%Floral freshness
Detergents0.1-0.5%Up to 1%Cost-effective floralcy

Classic Accords

+ Geraniol + Phenethyl alcohol = Rose bouquet + Linalool + Citral = Floral-citric freshness

Tip: Use to brighten rose bases without adding excessive sweetness.

Alternatives & Comparisons

1
Citronellyl acetate CAS 150-84-5

For a lighter, more citrusy floral effect with similar stability but less fruity character.

2
Rhodinyl formate CAS 141-09-3

When a deeper, more honeyed rose character is desired with similar chemical properties.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions under Amendment 49.

RIFM Assessment

Considered safe as used in current fragrance practices according to RIFM assessments.

Sustainability

As a synthetic material, citronellyl formate reduces pressure on natural rose oil production. Modern synthesis routes have optimized atom economy and reduced waste streams. Being produced in controlled facilities minimizes environmental impact compared to agricultural production of some natural floral ingredients.

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References

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

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    Ingredient Data Sheet

    CAS 105-85-1

    Physical Properties

    Molecular Weight184.27 g/mol🔬 PubChem
    LogP (Octanol-Water)3.8🔬 PubChem
    Boiling Point235 °C🔬 EPA CompTox
    Vapor Pressure0.03 mmHg @ 25°C📊 OPERA
    Flash Point95 °C🔬 EPA CompTox
    Involatility Index0.0024💻 Calculated
    log Kp (skin permeability)-1.126💻 Calculated
    SMILESCC(CCC=C(C)C)CCOC=O🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score3.1 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsfruitygreenleafyrose• leffingwell
    Functional Groupsetheralkene💻 RDKit
    “Colorless mobile liquid, powerful leafy-green, fruity-rosy, fresh and light odor reminiscent of Geranium leaves, somewhat dry and honeylike undertone. There is an overall fresh-vegetable character in this odor picture.”📖 Arctander
    Citronellyl formate has a strong, fruity, rose-like odor with a sweet, fruity taste.📖 Fenaroli

    Flavor Notes (Arctander)

    “Very slightly soluble in water, poorly soluble in Propylene glycol, insoluble in Glycerin, soluble in alcohol, miscible with perfume and flavor oils. Used in flavor compositions for imitation Apple, Apricot, Cucumber, Honey, Orange, Peach, Plum, etc.”📖 Arctander

    Regulatory Status

    GRAS StatusGenerally Recognized as Safe⚖️ FEMA GRAS
    IOFI ClassificationNature Identical📖 Fenaroli
    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: DTXSID1044772

    Physical Properties

    Molecular Weight 184.279 g/mol🔬 EPA CompTox
    Density 0.9 g/cm^3🔬 EPA CTX
    Boiling Point 242.425 °C🔬 EPA CTX
    Melting Point -55.423 °C📊 OPERA
    Flash Point 93.183 °C🔬 EPA CTX
    Refractive Index 1.441 Dimensionless📊 OPERA
    Molar Volume 207.583 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 3.85 Log10 unitless🔬 EPA CTX
    LogD (pH 5.5) 3.913 Log10 unitless📊 OPERA
    LogD (pH 7.4) 3.913 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.5 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L🔬 EPA CTX
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.03 mmHg🔬 EPA CTX
    Viscosity 1.975 cP📊 OPERA
    Surface Tension 27.846 dyn/cm📊 OPERA
    Thermal Conductivity 136.598 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 7 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 54.802 cm^3/mol📊 OPERA
    Polarizability 21.725 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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