2,5-Dimethyl-3-Thioisovalerylfuran (CAS 55764-28-8) — Mid Note Fragrance Ingredient

ByThe Good Scents



terpenic

2,5-Dimethyl-3-Thioisovalerylfuran

CAS 55764-28-8

Note
mid
Volatility
low
MW
212.3
Data as of: Jun 2026

What Is 2,5-Dimethyl-3-Thioisovalerylfuran?

2,5-Dimethyl-3-Thioisovalerylfuran (CAS 55764-28-8) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as green, tropical and sweet, placing it within the terpenic family as a mid note with low volatility. With a molecular weight of 212.3 (formula C11H16O2S), it is handled by perfumers as a building block for compositions where a green 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
55764-28-8
Formula
C11H16O2S
MW
212.3
InChIKey
XFNLWIPNTYNNJX-UHFFFAOYSA-N
2,5-Dimethyl-3-Thioisovalerylfuran 2D structure

2,5-Dimethyl-3-Thioisovalerylfuran
C11H16O2S
Layer 1 · Enthusiast

What Does 2,5-Dimethyl-3-Thioisovalerylfuran Smell Like?

The odour profile of 2,5-Dimethyl-3-Thioisovalerylfuran is reported as green, tropical, sweet, sour, sweaty, herbal. The dominant facet is its green 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

2,5-Dimethyl-3-Thioisovalerylfuran has the molecular formula C11H16O2S and a molecular weight of 212.3 g/mol. Its canonical SMILES representation is CC(C)CC(=O)SC1=C(C)OC(C)=C1. Its reported log P (XLogP) of 3.56 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 212.3 g/mol
Boiling Point 279.0 °C
Melting Point 39.76 °C
Flash Point 114.4 °C
Density 0.8962 g/cm³
Vapor Pressure 0.002674 mmHg
Water Solubility 0.00039 g/L
XLogP 3.56

Perfumer Guide

Note Position
Mid
Volatility
Low
Primary Odour
Green

Alternatives & Comparisons

Ingredients occupying a similar odour space — useful as substitutes or companions when 2,5-Dimethyl-3-Thioisovalerylfuran is unavailable or restricted.

1
1,3-Dimethyl-3-butenyl salicylate CAS 80118-10-1

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

2
(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate CAS 678981-31-2

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

3
[(5S,6S)-3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl] acetate CAS 744266-61-3

Shares green, herbal, 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

H302
Formulating with 2,5-Dimethyl-3-Thioisovalerylfuran?

Open 2,5-Dimethyl-3-Thioisovalerylfuran 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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