4-Oxoisophorone
ALDRICH/W342106 - ≥98%, FG
Synonym: 2,6,6-
CAS Number: 1125-21-9
Empirical Formula (Hill Notation): C9H12O2
Molecular Weight: 152.19
EC Number: 214-406-2
MDL Number: MFCD00043119
Linear Formula: C9H12O2
Product Type: Chemical
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This image depicts W342106-SAMPLE-K.
This image depicts W342106-SAMPLE-K.
| agency | follows IFRA guidelines |
| meets purity specifications of JECFA | |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 222 °C (lit.) |
| 92-94 °C/11 mmHg (lit.) | |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| fragrance allergen | no known allergens |
| grade | FG |
| Fragrance grade | |
| Halal | |
| Kosher | |
| InChI | 1S/C9H12O2/c1-6-4-7(10)5- |
| InChI key | AYJXHIDNNLJQDT-UHFFFAOYSA |
| mp | 26-28 °C (lit.) |
| organoleptic | musty; woody; sweet |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| SMILES string | CC1=CC(=O)CC(C)(C)C1=O |
| Application: | <ul><BR/> <li><strong>Characterizat<WBR>ion of Evodia rutaecarpa (Juss) Benth honey: volatile profile, odor-active compounds and odor properties.</strong> This study investigates the unique aroma compounds in Evodia rutaecarpa honey, identifying 4-Oxoisophorone as a key component influencing its sensory characteristics, crucial for developing enhanced food products with distinct flavors (<A class="External" onClick="cmCreateManualPageviewTag('doi.org - W342106 ALDRICH', 'EXTERNAL LINKS', 'https://doi.org/10.1002/jsfa.13088', window.location);" rel="nofollow" href="https://doi.org/10.1002/jsfa.13088">Li et al., 2024</A><img src="/images/pixel.png">).</li><BR/> <li><strong>Enantioselect<WBR>ive Total Synthesis of (R,R)-Blumenol B and d(9)-(R,R)-Blumenol B.</strong> Describes the synthesis of biologically active compounds using 4-Oxoisophorone as a precursor, demonstrating its versatility in chemical synthesis and potential applications in developing pharmaceutical agents (<A class="External" onClick="cmCreateManualPageviewTag('doi.org - W342106 ALDRICH', 'EXTERNAL LINKS', 'https://doi.org/10.3390/molecules27217294', window.location);" rel="nofollow" href="https://doi.org/10.3390/molecules27217294">Tan et al., 2022</A><img src="/images/pixel.png">).</li><BR/> <li><strong>The mystery of the butterfly bush Buddleja davidii: How are the butterflies attracted </strong> Explores the chemical attractants of Buddleja davidii, with 4-Oxoisophorone identified as a significant attractant, which could have implications for enhancing biodiversity and garden ecology (<A class="External" onClick="cmCreateManualPageviewTag('doi.org - W342106 ALDRICH', 'EXTERNAL LINKS', 'https://doi.org/10.3389/fpls.2022.994851', window.location);" rel="nofollow" href="https://doi.org/10.3389/fpls.2022.994851">Lehner et al., 2022</A><img src="/images/pixel.png">).</li><BR/></ul> |
| General description: | 4-Oxoisophorone is a flavor compound found in tobacco and saffron. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 100 g in glass bottle |
| Packaging: | 5 kg in poly drum |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H317 |
| Precautionary statements | P280 - P302 + P352 |
| Hazard Codes | Xn |
| Risk Statements | 22-43 |
| Safety Statements | 26-36/37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Purity | ≥98% |
| bp | 222 °C (lit.); 92-94 °C/11 mmHg (lit.) |
| mp | 26-28 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3421 |
| UNSPSC | 12164502 |