Methane, triiodo- (CAS 75-47-8) — Citrus N/A Note Fragrance Ingredient

ByThe Good Scents
Citrus · Floral

Methane, triiodo-

CAS 75-47-8

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

What Is Methane, triiodo-?

Methane, triiodo- is a synthetic chemical compound primarily used in industrial applications rather than consumer products. It is encountered in specialized chemical processes and laboratory settings. This compound matters because it serves as a precursor in certain chemical syntheses, though it is not commonly found in everyday items.

Safety Profile

PROFESSIONAL USE
Generally safeUse with awarenessProfessional use
⚠ Not for consumer use
⚠ Handle with extreme caution
CAS
75-47-8
Formula
Mixture
MW
Variable
Odor Family
Citrus · Floral
Layer 1 · Enthusiast

What Does Methane, triiodo- Smell Like?

Methane, triiodo- does not have a notable odor profile as it is not used in perfumery. Its primary characteristics are related to its chemical reactivity rather than sensory properties.

Layer 2

2D Molecular Structure

Iodoform

SMILES: IC(I)I

Chemistry, Properties & Perfumer Guide

The Chemistry

Methane, triiodo- is a halogenated methane derivative. It is synthesized through the iodination of methane under controlled conditions. This compound is not naturally occurring and is primarily used in synthetic chemistry for specialized reactions.

Physical & Chemical Properties

Boiling PointN/A
DensityN/A

Perfumer Guide

Note Position
N/A
Volatility
N/A
Blending
N/A
ApplicationTypical %RangeNotes
IndustrialN/AN/ANot used in perfumery

Classic Accords

Tip: This compound is not suitable for use in fragrances.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not regulated by IFRA.

GHS Classification

H315 Skin irritation H319 Eye irritation H335 May cause respiratory irritation

RIFM Assessment

Not assessed by RIFM.

Sustainability

Methane, triiodo- is a synthetic compound with no significant natural sourcing considerations. Its environmental impact is primarily related to its industrial handling and disposal.

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References

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

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    Ingredient Data Sheet

    CAS 75-47-8

    Physical Properties

    Molecular Weight393.732 g/mol🔬 PubChem
    LogP (Octanol-Water)2.7🔬 PubChem
    Boiling Point217.8 °C🔬 EPA CompTox
    Vapor Pressure0.04 mmHg @ 25°C📊 OPERA
    Flash Point204 °C🔬 EPA CompTox
    Involatility Index0.0022💻 Calculated
    log Kp (skin permeability)-3.185💻 Calculated
    SMILESC(I)(I)I🔬 PubChem

    Volatility & Performance

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

    Sensory Thresholds

    Odor Detection Threshold0.0404 ppm (n=13)📖 van Gemert
    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: DTXSID4020743

    Physical Properties

    Molecular Weight 393.732 g/mol🔬 EPA CompTox
    Density 4.009 g/cm^3🔬 EPA CTX
    Boiling Point 218 °C🔬 EPA CTX
    Melting Point 120.185 °C🔬 EPA CTX
    Flash Point 204.05 °C🔬 EPA CTX
    Refractive Index 1.851 Dimensionless📊 OPERA
    Molar Volume 101.897 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.893 Log10 unitless📊 OPERA
    LogD (pH 5.5) 2.893 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.893 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 4.83 Log10 unitless📊 OPERA
    Water Solubility 0 mol/L🔬 EPA CTX
    Henry's Law Constant 0.002 atm-m3/mole🔬 EPA CTX

    Transport Properties

    Vapor Pressure 0.04 mmHg🔬 EPA CTX
    Viscosity 1.339 cP📊 OPERA
    Surface Tension 59.425 dyn/cm📊 OPERA
    Thermal Conductivity 67.531 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 0 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 0 count💻 Computed
    Rotatable Bonds 0 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 45.549 cm^3/mol📊 OPERA
    Polarizability 18.057 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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