Estragole (CAS 77525-18-9) — Top Note Fragrance Ingredient

ByThe Good Scents



sweet green

Estragole

CAS 77525-18-9

Note
top
Volatility
very high
MW
148.2
Data as of: Jun 2026

What Is Estragole?

Estragole (CAS 77525-18-9) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as sweet, green and herbal, placing it as a top note with very high volatility. With a molecular weight of 148.2 (formula C10H12O), it is handled by perfumers as a building block for compositions where a sweet character is desired. The data below is compiled from public chemical and regulatory sources.

Safety Profile

HANDLE WITH CARE

Generally safeUse with awarenessProfessional use
CAS
77525-18-9
Formula
C10H12O
MW
148.2
InChIKey
ZFMSMUAANRJZFM-UHFFFAOYSA-N
Estragole 2D structure

Estragole
C10H12O
Layer 1 · Enthusiast

What Does Estragole Smell Like?

The odour profile of Estragole is reported as sweet, green, herbal, fennel, spicy, smoky. The dominant facet is its sweet character, with the remaining notes adding nuance and complexity. As a top note it contributes to the opening of a fragrance. Perceived intensity and exact character depend on concentration, the carrier and the surrounding accord.

Scent Profile

Profile derived from public odour-descriptor data; relative, not absolute.

Layer 2

Chemistry & Properties

The Chemistry

Estragole has the molecular formula C10H12O and a molecular weight of 148.2 g/mol. Its canonical SMILES representation is COC1=CC=C(C=C1)CC=C. Its reported log P (XLogP) of 3.40 indicates a lipophilic, oil-soluble molecule, which informs how it partitions in a formula. Physical constants below are drawn from PubChem and EPA CompTox public datasets.

Physical & Chemical Properties

Molecular Weight 148.2 g/mol
Boiling Point 109.3 °C
Flash Point 3.60 °C
Density 0.8622 g/cm³
Vapor Pressure 38.13 mmHg
Water Solubility 0.02798 g/L
XLogP 3.40

Perfumer Guide

Note Position
Top
Volatility
Very High
Primary Odour
Sweet

Alternatives & Comparisons

Ingredients occupying a similar odour space — useful as substitutes or companions when Estragole is unavailable or restricted.

1
4-methyl-2-propan-2-ylphenol CAS 4427-56-9

Shares herbal, spicy, sweet character — a candidate substitute or companion in the same odour space.

2
2-Methoxy-4-Vinylphenol CAS 7786-61-0

Shares smoky, spicy, sweet character — a candidate substitute or companion in the same odour space.

3
Benzene, 1,3,5-trimethyl- CAS 108-67-8

Shares phenolic, spicy, green character — a candidate substitute or companion in the same odour space.

Layer 3

Safety & Regulatory

⚠ Regulatory Disclaimer

General reference only. IFRA, REACH and EU Cosmetics Regulation standards update periodically. Consult the current IFRA Standards Library before formulating. Not legal or regulatory advice.

IFRA Status

Subject to an IFRA restriction (51st Amendment) — maximum use levels apply by product category. Consult the current IFRA Standards Library before formulating.

GHS Classification

Signal word: Warning

H227H302

Odour detection threshold (air): 0.0049 ppb — a literature-curated value indicating its potency in the vapour phase.

Formulating with Estragole?

Open Estragole in Fragrance Studio (Pro) for the calibrated vapour-pressure curve, the modelled odour-threshold estimate, and the substitute-matching engine across 2,900+ aromachemicals.

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References & Sources

  1. PubChem Compound Summary (NIH) — search by InChIKey
  2. EPA CompTox Chemicals Dashboard — physicochemical & fate data
  3. IFRA Standards Library (49th / 51st Amendment)
Sources: PubChem (NIH) · EPA CompTox · IFRA Standards Library · public GHS classification. Odour descriptors are original editorial summaries of public profiles, not reproduced from any single proprietary source.

Data: PubChem (NIH), EPA CompTox, IFRA. Last reviewed: Jun 2026.

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