Benzyl Acetoacetate (CAS 5396-89-4) — Mid Note Fragrance Ingredient

ByThe Good Scents



fruity

Benzyl Acetoacetate

CAS 5396-89-4

Note
mid
Volatility
low
MW
192.2
Data as of: Jun 2026

What Is Benzyl Acetoacetate?

Benzyl Acetoacetate (CAS 5396-89-4) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as sweet, fruity and floral, placing it within the fruity family as a mid note with low volatility. With a molecular weight of 192.2 (formula C11H12O3), 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
5396-89-4
Formula
C11H12O3
MW
192.2
InChIKey
WOFAGNLBCJWEOE-UHFFFAOYSA-N
Benzyl Acetoacetate 2D structure

Benzyl Acetoacetate
C11H12O3
Layer 1 · Enthusiast

What Does Benzyl Acetoacetate Smell Like?

The odour profile of Benzyl Acetoacetate is reported as sweet, fruity, floral, banana, balsamic, fresh, berry, mellow. The dominant facet is its sweet 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

Benzyl Acetoacetate has the molecular formula C11H12O3 and a molecular weight of 192.2 g/mol. Its canonical SMILES representation is CC(=O)CC(=O)OCC1=CC=CC=C1. Its reported log P (XLogP) of 1.71 indicates a moderately polar 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 192.2 g/mol
Boiling Point 276.0 °C
Melting Point 52.69 °C
Flash Point 118.3 °C
Density 1.11 g/cm³
Vapor Pressure 0.00128 mmHg
Water Solubility 0.012 g/L
XLogP 1.71

Perfumer Guide

Note Position
Mid
Volatility
Low
Primary Odour
Sweet

Alternatives & Comparisons

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

1
benzyl 4-benzoyloxybenzoate CAS 96682-10-9

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

2
2,2,4-trimethyl-1-(2-methylprop-2-enoxy)pentan-3-ol CAS 526218-21-3

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

3
beta-Phenyl vinyl acetate CAS 10521-96-7

Shares balsamic, floral, fruity 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

H319
Formulating with Benzyl Acetoacetate?

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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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