3-Methyl-5-phenylpent-2-enenitrile (CAS 93893-89-1) — Green Top to middle Note Fragrance Ingredient

ByThe Good Scents
Green · Floral

3-Methyl-5-phenylpent-2-enenitrile

CAS 93893-89-1

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

What Is 3-Methyl-5-phenylpent-2-enenitrile?

3-Methyl-5-phenylpent-2-enenitrile is a synthetic fragrance ingredient used in modern perfumery. It’s found in many contemporary floral and fruity fragrances, often adding a fresh, slightly green character. This molecule matters because it helps create crisp, modern scent profiles that last well on skin, making it valuable for fresh perfumes and body care products.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major restrictions in current IFRA guidelines
⚠ Limited toxicity data – use standard precautions
CAS
93893-89-1
Formula
Mixture
MW
Variable
Odor Family
Green · Floral
Layer 1 · Enthusiast

What Does 3-Methyl-5-phenylpent-2-enenitrile Smell Like?

This nitrile compound delivers a fresh, green-fruity opening reminiscent of unripe apples and cucumber peel, with a subtle floral undertone. As it evolves, it reveals a clean, slightly woody character that adds diffusion. The dry-down is surprisingly tenacious for a fresh material, leaving a soft, musky-ambery trace. Its crispness makes it excellent for modern floral compositions, where it adds lift without overpowering.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Light Blue(Dolce & Gabbana, 2001)

Used here to enhance the citrus-fruity opening with its green facets, complementing the lemon and apple notes while adding diffusion to the heart.

Chance Eau Fraîche(Chanel, 2007)

Contributes to the sparkling citrus-woody accord, helping bridge the fresh top notes to the floral heart with its persistent green character.

Layer 2

2D Molecular Structure

3-Methyl-5-phenylpent-2-enenitrile

SMILES: CC(CCC1=CC=CC=C1)=CC#N

Chemistry, Properties & Perfumer Guide

The Chemistry

3-Methyl-5-phenylpent-2-enenitrile belongs to the nitrile class of compounds, characterized by a -C≡N functional group. This synthetic molecule features an unsaturated carbon chain with a phenyl group, contributing to its moderate volatility and tenacity. Nitriles are valued in perfumery for their stability and resistance to oxidation compared to aldehydes. While not found in nature, its structure mimics certain green-leaf volatiles, explaining its fresh olfactory profile.

Physical & Chemical Properties

Perfumer Guide

Note Position
Top to middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Fresh floral modifier
Body Care0.5-1.5%Up to 2%Adds diffusion to fresh accords

Classic Accords

Tip: Use in trace amounts with citrus oils to prevent harshness while enhancing diffusion.

Alternatives & Comparisons

1
Hexyl cinnamaldehyde CAS 101-86-0

For more floral character with similar diffusion, though less green. Better for jasmine-type compositions.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA standards.

RIFM Assessment

No specific RIFM assessment found; follow general nitrile safety protocols.

Sustainability

As a synthetic material, this nitrile has no direct environmental impact from harvesting. Its production can be optimized for energy efficiency, and it doesn’t contribute to deforestation concerns associated with some natural materials. The nitrile group’s stability may reduce need for preservatives in final formulations.

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References

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

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    Ingredient Data Sheet

    CAS 93893-89-1

    Physical Properties

    Molecular Weight171.24 g/mol🔬 PubChem
    LogP (Octanol-Water)3.3🔬 PubChem
    Boiling Point277 °C🔬 EPA CompTox
    Vapor Pressure0.0035 mmHg @ 25°C📊 OPERA
    Flash Point141.8 °C🔬 EPA CompTox
    Involatility Index0.0003💻 Calculated
    log Kp (skin permeability)-1.402💻 Calculated
    SMILESCC(=CC#N)CCC1=CC=CC=C1🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score4.6 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsfloralgreen• leffingwell
    Functional Groupsalkenearomatic💻 RDKit

    Regulatory Status

    IFRA ListedYes — see IFRA Standards for category limits⚖️ IFRA 51
    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: DTXSID30860654

    Physical Properties

    Molecular Weight 171.243 g/mol🔬 EPA CompTox
    Density 1.028 g/cm^3📊 OPERA
    Boiling Point 291.337 °C📊 OPERA
    Melting Point 34.629 °C📊 OPERA
    Flash Point 138.361 °C📊 OPERA
    Refractive Index 1.531 Dimensionless📊 OPERA
    Molar Volume 175.077 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.786 Log10 unitless📊 OPERA
    LogD (pH 5.5) 2.786 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.786 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 6.36 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.002 mmHg📊 OPERA
    Surface Tension 36.233 dyn/cm📊 OPERA
    Thermal Conductivity 152.763 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 23.79 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 3 count💻 Computed
    Aromatic Rings 1 count💻 Computed
    Molar Refractivity 54.148 cm^3/mol📊 OPERA
    Polarizability 21.466 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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