1-Cyclohexene-1-acetic acid (CAS 18294-87-6) — Citrus N/A Note Fragrance Ingredient

ByThe Good Scents
Citrus · Floral

1-Cyclohexene-1-acetic acid

CAS 18294-87-6

Origin
synthetic
Note
N/A
IFRA
Professional use
Data as of: Apr 2026

What Is 1-Cyclohexene-1-acetic acid?

1-Cyclohexene-1-acetic acid is a synthetic fragrance ingredient primarily used in laboratory settings and industrial fragrance creation. It’s not commonly encountered in consumer products. This molecule serves as a building block for more complex fragrance compounds, contributing to the creation of unique scent profiles in niche perfumery.

Safety Profile

PROFESSIONAL USE
Generally safeUse with awarenessProfessional use
⚠ Limited safety data available
⚠ Handle with proper protective equipment
CAS
18294-87-6
Formula
Mixture
MW
Variable
Odor Family
Citrus · Floral
Layer 1 · Enthusiast

What Does 1-Cyclohexene-1-acetic acid Smell Like?

No specific odor data available for this compound. As a synthetic intermediate, it’s primarily valued for its chemical properties rather than direct olfactory characteristics. Perfumers may use derivatives of this compound to create modified scent profiles in fragrance development.

Layer 2

2D Molecular Structure

1-Cyclohexene-1-acetic acid

SMILES: OC(=O)CC1=CCCCC1

Chemistry, Properties & Perfumer Guide

The Chemistry

1-Cyclohexene-1-acetic acid is a cyclic unsaturated carboxylic acid with potential as a fragrance intermediate. Its structure suggests possible utility in creating modified woody or balsamic notes through further chemical modification. The cyclohexene ring provides opportunities for various synthetic transformations in fragrance chemistry.

Physical & Chemical Properties

Perfumer Guide

Note Position
N/A
Volatility
N/A
Blending
N/A
ApplicationTypical %RangeNotes
Industrial FragranceTrace amountsAs neededPrimarily used as intermediate

Classic Accords

Tip: This compound requires specialized handling and should only be used by experienced chemists.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions listed for this compound.

RIFM Assessment

No RIFM assessment available for this compound.

Sustainability

As a synthetic compound, production can be controlled with minimal environmental impact when proper manufacturing practices are followed. The sustainability profile depends on the specific synthesis route and raw material sourcing.

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References

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

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    Ingredient Data Sheet

    CAS 18294-87-6

    Physical Properties

    Molecular Weight140.18 g/mol🔬 PubChem
    LogP (Octanol-Water)1.5🔬 PubChem
    Boiling Point247 °C🔬 EPA CompTox
    Vapor Pressure0.0008 mmHg @ 25°C📊 OPERA
    Flash Point149.7 °C🔬 EPA CompTox
    Involatility Index0.0001💻 Calculated
    log Kp (skin permeability)-2.49💻 Calculated
    SMILESC1CCC(=CC1)CC(=O)O🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score4.2 / 5💻 Calculated

    Odor & Flavor

    Functional Groupsalkene💻 RDKit
    “Rather sharp-acetic odor, not very charac- Hexahydro phenylacetic acid.”📖 Arctander
    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: DTXSID7066356

    Physical Properties

    Molecular Weight 140.182 g/mol🔬 EPA CompTox
    Density 1.086 g/cm^3📊 OPERA
    Boiling Point 250.914 °C📊 OPERA
    Melting Point 33 °C🔬 EPA CTX
    Flash Point 134.902 °C📊 OPERA
    Refractive Index 1.499 Dimensionless📊 OPERA
    Molar Volume 129.938 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 1.954 Log10 unitless📊 OPERA
    LogD (pH 5.5) 0.998 Log10 unitless📊 OPERA
    LogD (pH 7.4) -0.825 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 6.81 Log10 unitless📊 OPERA
    Water Solubility 0.026 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.005 mmHg📊 OPERA
    Viscosity 7.259 cP📊 OPERA
    Surface Tension 35.956 dyn/cm📊 OPERA
    Thermal Conductivity 142.222 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 37.3 Ų💻 Computed
    H-Bond Donors 1 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 2 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 38.161 cm^3/mol📊 OPERA
    Polarizability 15.128 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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