1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester (CAS 172820-60-9) — Citrus Heart Note Fragrance Ingredient

ByThe Good Scents
Citrus · Floral

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester

CAS 172820-60-9

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

What Is 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester?

This synthetic ester is a specialized fragrance ingredient used by perfumers to create unique citrus-woody accords. Most consumers wouldn’t encounter it directly, but may experience its effects in niche fragrances. While obscure, it offers perfumers precise control over certain olfactory effects that natural ingredients can’t provide as consistently.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major safety concerns reported
⚠ Limited toxicological data available
CAS
172820-60-9
Formula
Mixture
MW
Variable
Odor Family
Citrus · Floral
Layer 1 · Enthusiast

What Does 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester Smell Like?

Layer 2

2D Molecular Structure

Ethyl 2-hydroxy-1,2,3-propanetricarboxylate

SMILES: CCO.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Chemistry, Properties & Perfumer Guide

The Chemistry

This compound is a synthetic ester derivative of citric acid. Its molecular structure combines both hydroxyl and ester functional groups, which influences its volatility and solubility. Being a synthetic material, it’s produced through esterification reactions under controlled laboratory conditions rather than being extracted from natural sources.

Physical & Chemical Properties

Perfumer Guide

Note Position
Volatility
Medium
Blending
Good
ApplicationTypical %RangeNotes

Classic Accords

Tip:

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions identified

RIFM Assessment

No RIFM assessment available

Sustainability

As a synthetic material, this ingredient avoids agricultural resource requirements but depends on petrochemical feedstocks. Production likely involves standard chemical manufacturing processes with typical industrial environmental controls.

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References

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

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    Ingredient Data Sheet

    CAS 172820-60-9

    Physical Properties

    Molecular Weight238.19 g/mol🔬 PubChem
    SMILESCCO.C(C(=O)O)C(CC(=O)O)(C(=O)O)O🔬 PubChem

    Odor & Flavor

    Functional Groupsalcohol💻 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: DTXSID90889068

    Physical Properties

    Molecular Weight 238.19 g/mol🔬 PubChem

    Molecular Descriptors

    Topological Polar Surface Area 152.36 Ų💻 Computed
    H-Bond Donors 5 count💻 Computed
    H-Bond Acceptors 5 count💻 Computed
    Rotatable Bonds 5 count💻 Computed
    Molar Refractivity 49.85 cm^3/mol💻 Computed

    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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