1,2-Propanediol, 3-[(2-ethylhexyl)oxy]- (CAS 70445-33-9) — Citrus None Note Fragrance Ingredient

ByThe Good Scents
Citrus · Floral

1,_2-_Propanediol, 3-_[(2-_ethylhexyl)_oxy]_-

CAS 70445-33-9

Origin
synthetic
Note
None
IFRA
Generally safe
Data as of: Apr 2026

What Is 1,_2-_Propanediol, 3-_[(2-_ethylhexyl)_oxy]_-?

1,2-Propanediol, 3-[(2-ethylhexyl)oxy]- is a synthetic compound used as a solvent and carrier in perfumes and cosmetics. It helps evenly distribute fragrance oils. While not directly contributing scent, its properties influence how other ingredients perform. This matters because solvent choices affect longevity, diffusion, and skin feel of fragrances.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Common cosmetic ingredient
✓ Low skin irritation potential
CAS
70445-33-9
Formula
Mixture
MW
Variable
Odor Family
Citrus · Floral
Layer 1 · Enthusiast

What Does 1,_2-_Propanediol, 3-_[(2-_ethylhexyl)_oxy]_- Smell Like?

This compound is nearly odorless, functioning primarily as a solvent rather than a fragrance ingredient. Its neutral profile allows other scent molecules to shine without interference. In formulations, it provides a smooth, slightly oily base that helps modulate the volatility of more aromatic components.

Layer 2

2D Molecular Structure

3-[(2-Ethylhexyl)oxy]propane-1,2-diol

SMILES: CCCCC(CC)COCC(O)CO

Chemistry, Properties & Perfumer Guide

The Chemistry

A synthetic glycol ether derivative created through esterification reactions. Its structure combines propanediol with a branched ether group, giving it both hydrophilic and lipophilic properties. This bifunctionality makes it particularly useful for dissolving diverse fragrance materials while maintaining compatibility with cosmetic formulations.

Physical & Chemical Properties

Perfumer Guide

Note Position
None
Volatility
Non-volatile
Blending
Carrier only
ApplicationTypical %RangeNotes
Solvent10-30%Up to 50%Base for fragrance oils

Classic Accords

Tip: Use as a neutral carrier for difficult-to-dissolve materials.

Alternatives & Comparisons

1
Dipropylene Glycol CAS 25265-71-8

Similar solvent properties with slightly higher viscosity and slower evaporation rate.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions.

RIFM Assessment

Not currently assessed by RIFM.

Sustainability

Synthesized from petrochemical feedstocks. While not biodegradable, it’s used in small enough quantities that environmental impact is minimal compared to main fragrance components.

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References

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

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    Ingredient Data Sheet

    CAS 70445-33-9

    Physical Properties

    Molecular Weight204.31 g/mol🔬 PubChem
    LogP (Octanol-Water)1.9🔬 PubChem
    Boiling Point254 °C🔬 EPA CompTox
    Vapor Pressure0 mmHg @ 25°C📊 OPERA
    Flash Point124.2 °C🔬 EPA CompTox
    log Kp (skin permeability)-2.597💻 Calculated
    SMILESCCCCC(CC)COCC(CO)O🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score9 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorscitrusfloral• leffingwell
    Functional Groupsalcoholether💻 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: DTXSID80990652

    Physical Properties

    Molecular Weight 204.31 g/mol🔬 EPA CompTox
    Density 0.961 g/cm^3📊 OPERA
    Boiling Point 287.912 °C📊 OPERA
    Melting Point 39.903 °C📊 OPERA
    Flash Point 137.551 °C📊 OPERA
    Refractive Index 1.456 Dimensionless📊 OPERA
    Molar Volume 212.237 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.477 Log10 unitless📊 OPERA
    LogD (pH 5.5) 1.687 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.392 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 7.95 Log10 unitless📊 OPERA
    Water Solubility 0.009 mol/L🔬 EPA CTX
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0 mmHg📊 OPERA
    Viscosity 39.549 cP📊 OPERA
    Surface Tension 32.513 dyn/cm📊 OPERA
    Thermal Conductivity 168.101 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 49.69 Ų💻 Computed
    H-Bond Donors 2 count💻 Computed
    H-Bond Acceptors 3 count💻 Computed
    Rotatable Bonds 9 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 57.743 cm^3/mol📊 OPERA
    Polarizability 22.891 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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