Butyl Acetoacetate (CAS 591-60-6) — Mid Note Fragrance Ingredient

ByThe Good Scents



fruity

Butyl Acetoacetate

CAS 591-60-6

Note
mid
Volatility
medium
MW
158.2
Data as of: Jun 2026

What Is Butyl Acetoacetate?

Butyl Acetoacetate (CAS 591-60-6) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as sweet, apple and banana, placing it within the fruity family as a mid note with medium volatility. With a molecular weight of 158.2 (formula C8H14O3), 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

GENERALLY SAFE

Generally safeUse with awarenessProfessional use
CAS
591-60-6
Formula
C8H14O3
MW
158.2
InChIKey
REIYHFWZISXFKU-UHFFFAOYSA-N
Butyl Acetoacetate 2D structure

Butyl Acetoacetate
C8H14O3
Layer 1 · Enthusiast

What Does Butyl Acetoacetate Smell Like?

The odour profile of Butyl Acetoacetate is reported as sweet, apple, banana, fruity, pear, pineapple, green. 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

Butyl Acetoacetate has the molecular formula C8H14O3 and a molecular weight of 158.2 g/mol. Its canonical SMILES representation is CCCCOC(=O)CC(C)=O. Its reported log P (XLogP) of 1.31 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 158.2 g/mol
Boiling Point 214.5 °C
Melting Point -35.60 °C
Flash Point 80.53 °C
Density 1.18 g/cm³
Vapor Pressure 0.243 mmHg
Water Solubility 0.03096 g/L
XLogP 1.31

Perfumer Guide

Note Position
Mid
Volatility
Medium
Primary Odour
Sweet

Alternatives & Comparisons

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

1
[(E)-oct-2-enyl] acetate CAS 2371-13-3

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

2
Hexadienyl-iso-butyrate CAS 16491-24-0

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

3
nona-3,6-dienyl acetate CAS 76649-26-8

Shares green, fruity, banana 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.

Odour detection threshold (air): 2.936e-05 ppb — a literature-curated value indicating its potency in the vapour phase.

Formulating with Butyl Acetoacetate?

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

Open in Fragrance Studio →

Free · Web-based · No install required

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.

Report a data error

Similar Posts