4-Methyl-1-Phenyl-2-Pentanone (CAS 5349-62-2) — Mid Note Fragrance Ingredient

ByThe Good Scents



terpenic

4-Methyl-1-Phenyl-2-Pentanone

CAS 5349-62-2

Note
mid
Volatility
medium
MW
176.3
Data as of: Jun 2026

What Is 4-Methyl-1-Phenyl-2-Pentanone?

4-Methyl-1-Phenyl-2-Pentanone (CAS 5349-62-2) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as fruity, floral and rose, placing it within the terpenic family as a mid note with medium volatility. With a molecular weight of 176.3 (formula C12H16O), it is handled by perfumers as a building block for compositions where a fruity 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
5349-62-2
Formula
C12H16O
MW
176.3
InChIKey
DTYGTEGDVPAKDA-UHFFFAOYSA-N
4-Methyl-1-Phenyl-2-Pentanone 2D structure

4-Methyl-1-Phenyl-2-Pentanone
C12H16O
Layer 1 · Enthusiast

What Does 4-Methyl-1-Phenyl-2-Pentanone Smell Like?

The odour profile of 4-Methyl-1-Phenyl-2-Pentanone is reported as fruity, floral, rose, sweet, balsamic, honey. The dominant facet is its fruity 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

4-Methyl-1-Phenyl-2-Pentanone has the molecular formula C12H16O and a molecular weight of 176.3 g/mol. Its canonical SMILES representation is CC(C)CC(=O)CC1=CC=CC=C1. Its reported log P (XLogP) of 2.84 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 176.3 g/mol
Boiling Point 253.0 °C
Melting Point 6.14 °C
Flash Point 104.4 °C
Density 1.09 g/cm³
Vapor Pressure 0.0208 mmHg
Water Solubility 0.0026 g/L
XLogP 2.84

Perfumer Guide

Note Position
Mid
Volatility
Medium
Primary Odour
Fruity

Alternatives & Comparisons

Ingredients occupying a similar odour space — useful as substitutes or companions when 4-Methyl-1-Phenyl-2-Pentanone is unavailable or restricted.

1
3-phenylpropyl 2-(4-hydroxy-3-methoxyphenyl)acetate CAS 105025-99-8

Shares balsamic, floral, honey character — a candidate substitute or companion in the same odour space.

2
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate CAS 71648-43-6

Shares floral, honey, rose character — a candidate substitute or companion in the same odour space.

3
benzyl 4-benzoyloxybenzoate CAS 96682-10-9

Shares balsamic, fruity, sweet 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

No IFRA restriction recorded in the data set. This is not a guarantee of unrestricted status — always confirm against the current IFRA Standards Library.

GHS Classification

Signal word: Warning

H226
Formulating with 4-Methyl-1-Phenyl-2-Pentanone?

Open 4-Methyl-1-Phenyl-2-Pentanone 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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