(e)-1-(2,4,4-Trimethyl-2-Cyclohexen-1-Yl)-2-Buten-1-One
Aroma Chemical Heart Note CAS 39872-57-6
A fruity floral note with a ripe plum character and a soft rose facet. Natural and warm, it adds a tobacco depth to rose and fruity accords.
Odor profile
| Note | Heart Note |
| Descriptor 1 | Floral |
| Descriptor 2 | Plum |
| Descriptor 3 | Rose |
| Tenacity2 | 128 h |
2 Source: The Good Scents Company
Identification
| CAS Number | 39872-57-6 |
| INCI Name | Trans-rose ketone-5 |
| Category | Aroma Chemical |
| Formula | C13H20O |
| Mol. Weight | 192.30 |
| IUPAC Name | (E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one |
| InChIKey | NELDPSDYTZADSA-AATRIKPKSA-N |
Synonyms
2-buten-1-one, 1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-, (2E)-, 2-buten-1-one, 1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-, (E)-, iso damascone (high alpha) (Symrise), iso damascone (Symrise), plum damascone (high alpha), (E)-rose ketone-5, (E)-(2,4,4-trimethyl-2-cyclohexenyl)-2-butenone, trans-(2,4,4-trimethyl-2-cyclohexenyl)-2-butenone, (2E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one, (E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Physical and chemical data
| Boiling Point | 266.00 °C |
| Flash Point | >100 °C |
| Density | 0.91800 |
| Refractive Index | 1.48500 |
| Vapor Pressure | 0.008000 mmHg @ 25.00 C. (est) |
| LogP | 3.436 |
| Solubility | alcohol; water, 10.31 mg/L @ 25 C (est) |
| Appearance | colorless to pale yellow clear liquid |
Regulatory status
IFRA maximum concentrations
| Category | Use | Limit in the finished product |
|---|---|---|
| Category 1 | Lip products, toys | 0.0077 % |
| Category 2 | Deodorants, antiperspirants | 0.0023 % |
| Category 3 | Eye products | 0.046 % |
| Category 4 | Fine fragrance | 0.043 % |
| Category 5A | Body lotion | 0.011 % |
| Category 5B | Face cream | 0.011 % |
| Category 5C | Hand cream | 0.011 % |
| Category 5D | Baby creams, oils | 0.011 % |
| Category 6 | Oral care, mouthwash | 0.025 % |
| Category 7A | Rinse-off hair products | 0.088 % |
| Category 7B | Leave-on hair products | 0.088 % |
| Category 8 | Intimate and baby wipes | 0.0045 % |
| Category 9 | Soap, shampoo, rinse-off | 0.084 % |
| Category 10A | Household care, hand contact | 0.30 % |
| Category 10B | Aerosol air fresheners | 0.30 % |
| Category 11A | Intended skin contact | 0.17 % |
| Category 11B | Minimal skin contact | 0.17 % |
| Category 12 | No skin contact, candles | Not restricted |
| IFRA Amendment | 49 |
| Restriction Type | Restriction |
| Critical Effect | Dermal Sensitization |
All figures on this page are guide values collected from public reference works and supplier declarations. They differ between batches, origins and qualities. The data sheet of your own supplier is always the authoritative document for the material you actually use.