Safrole, Isosafrole and Dihydrosafrole (CAS 120-58-1) — Mid Note Fragrance Ingredient

ByThe Good Scents



bakery sweet

Safrole, Isosafrole and Dihydrosafrole

CAS 120-58-1

Note
mid
Volatility
medium
MW
162.2
Data as of: Jun 2026

What Is Safrole, Isosafrole and Dihydrosafrole?

Safrole, Isosafrole and Dihydrosafrole (CAS 120-58-1) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as bakery, sweet and fruit, placing it as a mid note with medium volatility. With a molecular weight of 162.2 (formula C10H10O2), it is handled by perfumers as a building block for compositions where a bakery character is desired. The data below is compiled from public chemical and regulatory sources.

Safety Profile

USE WITH AWARENESS

Generally safeUse with awarenessProfessional use
CAS
120-58-1
Formula
C10H10O2
MW
162.2
InChIKey
ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Safrole, Isosafrole and Dihydrosafrole 2D structure

Safrole, Isosafrole and Dihydrosafrole
C10H10O2
Layer 1 · Enthusiast

What Does Safrole, Isosafrole and Dihydrosafrole Smell Like?

The odour profile of Safrole, Isosafrole and Dihydrosafrole is reported as bakery, sweet, fruit, fish, garlic, spices, cold, sour, burnt, acid, warm, musky, ammonia/urinous, wood, grass, flower, chemical, edible. The dominant facet is its bakery character, with the remaining notes adding nuance and complexity. As a mid note it contributes to the heart 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

Safrole, Isosafrole and Dihydrosafrole has the molecular formula C10H10O2 and a molecular weight of 162.2 g/mol. Its canonical SMILES representation is C=CCC1=CC2=C(C=C1)OCO2. Its reported log P (XLogP) of 3.00 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 162.2 g/mol
Boiling Point 253.0 °C
Melting Point 8.20 °C
Flash Point 109.4 °C
Density 1.12 g/cm³
Vapor Pressure 0.01023 mmHg
Water Solubility 0.001 g/L
XLogP 3.00

Perfumer Guide

Note Position
Mid
Volatility
Medium
Primary Odour
Bakery

Alternatives & Comparisons

Ingredients occupying a similar odour space — useful as substitutes or companions when Safrole, Isosafrole and Dihydrosafrole is unavailable or restricted.

1
5-Hexenol CAS 821-41-0

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

2
2-Acetylthiophene CAS 88-15-3

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

3
1,6-Hexanedithiol CAS 1191-43-1

Shares bakery, sweet, fruit 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

Listed in the IFRA 51st Amendment (status: prohibition_restriction).

GHS Classification

Signal word: Danger

H302H315

Odour detection threshold (air): 0.025 ppb — a literature-curated value indicating its potency in the vapour phase.

Formulating with Safrole, Isosafrole and Dihydrosafrole?

Open Safrole, Isosafrole and Dihydrosafrole 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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