Cinnamyl isovalerate (CAS 140-27-2) — Sweet Middle Note Fragrance Ingredient

ByThe Good Scents
Sweet · Spicy

Cinnamyl isovalerate

CAS 140-27-2

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

What Is Cinnamyl isovalerate?

Cinnamyl isovalerate is a synthetic fragrance compound that smells like a blend of cinnamon and ripe apples. You’ll encounter it in baked goods flavorings, autumn-themed candles, and some niche perfumes. This ester matters because it bridges spicy and fruity accords, allowing perfumers to create warmth without overwhelming sweetness. Its subtlety makes it versatile for both fine fragrances and functional products.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ IFRA compliant at standard usage levels
⚠ Check for individual sensitivity
CAS
140-27-2
Formula
Mixture
MW
Variable
Odor Family
Sweet · Spicy
Layer 1 · Enthusiast

What Does Cinnamyl isovalerate Smell Like?

Opens with a burst of baked cinnamon rolls drizzled with caramel, quickly revealing a core of stewed apple compote. The dry-down hints at aged rum barrels with a faintly woody, vanillic trail. Unlike harsh cinnamon oils, this ester rounds the edges into a plush, gourmand embrace that lingers close to skin.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Spicebomb(Victor&Rolf, 2012)

Used sparingly here to amplify the tobacco-leather accord with a fruity twist that prevents the blend from becoming too masculine.

Angel Muse(Mugler, 2016)

Provides the invisible ‘baked goods’ warmth under the patchouli-chocolate avalanche, making the gourmand effect more dimensional.

Layer 2

2D Molecular Structure

Cinnamyl isovalerate

SMILES: CC(C)CC(=O)OCC=CC1=CC=CC=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

This ester combines cinnamyl alcohol with isovaleric acid. While found naturally in some fruits, commercial production typically involves Fischer esterification. The molecular geometry allows both spicy cinnamon and fruity apple facets to express simultaneously. No chirality concerns exist for fragrance applications.

Physical & Chemical Properties

Boiling Point~300°C (estimated)
Density~0.98 g/cm³ (estimated)

Perfumer Guide

Note Position
Middle
Volatility
Moderate (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Adds warmth to oriental bases
Candles1-3%Up to 8%Creates baked goods illusion
Soaps0.2-1%Up to 3%Use stabilized forms

Classic Accords

+ Vanilla + Tonka = Gourmand + Patchouli + Labdanum = Oriental + Bergamot + Amber = Spiced Citrus

Tip: Pair with vanillin to enhance the baked goods effect or with woody ambers for sophisticated warmth.

Alternatives & Comparisons

1
Cinnamyl acetate CAS 103-54-8

When a brighter, less fruity cinnamon effect is desired. More volatile top note character.

2
Ethyl isovalerate CAS 108-64-5

For purely fruity applications without the spice dimension. Common in apple flavors.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No restrictions under IFRA 49th Amendment. Typical use levels well below safety thresholds.

EU Allergen Declaration

Not listed in EU allergen regulation (EC) No 1223/2009.

RIFM Assessment

RIFM-reviewed with no significant safety concerns at current industry usage levels.

Sustainability

Synthetic production avoids cinnamon bark overharvesting. The process uses standard esterification chemistry with good atom economy. No known ecological toxicity concerns at fragrance usage scales.

Explore Cinnamyl isovalerate

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References

  1. Fenaroli’s Handbook of Flavor Ingredients (6th ed.). CRC Press.
  2. IFRA Standards Library – 49th Amendment IFRA

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

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Ingredient Data Sheet

CAS 140-27-2

Physical Properties

Molecular Weight218.29 g/mol🔬 PubChem
LogP (Octanol-Water)3.9🔬 PubChem
Boiling Point314 °C🔬 EPA CompTox
Vapor Pressure0.0089 mmHg @ 25°C📊 OPERA
Flash Point128.3 °C🔬 EPA CompTox
Involatility Index0.0007💻 Calculated
log Kp (skin permeability)-1.263💻 Calculated
SMILESCC(C)CC(=O)OCC=CC1=CC=CC=C1🔬 PubChem

Volatility & Performance

Fragrance NoteBase💻 Calculated
Volatility ClassVery slow💻 Calculated
Persistence Score4.4 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsfloralgreenherbalrose• leffingwell
Functional Groupsesteretheralkenearomatic💻 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: DTXSID7059694

Physical Properties

Molecular Weight 218.296 g/mol🔬 EPA CompTox
Density 0.993 g/cm^3🔬 EPA CTX
Boiling Point 314 °C🔬 EPA CTX
Melting Point 25.49 °C📊 OPERA
Flash Point 128.35 °C🔬 EPA CTX
Refractive Index 1.531 Dimensionless📊 OPERA
Molar Volume 216.802 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 3.608 Log10 unitless📊 OPERA
LogD (pH 5.5) 3.608 Log10 unitless📊 OPERA
LogD (pH 7.4) 3.608 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 7.26 Log10 unitless📊 OPERA
Water Solubility 0.001 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.003 mmHg📊 OPERA
Viscosity 5.256 cP📊 OPERA
Surface Tension 35.093 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 5 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 67.04 cm^3/mol📊 OPERA
Polarizability 26.577 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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