Methyl Octine Carbonate
Aroma Chemical Heart Note CAS 111-80-8
Sharp green with a violet leaf and cucumber character and a fatty, slightly mushroom facet. Powerful, it builds violet leaf, mimosa and green floral accords.
Odor profile
| Note | Heart Note |
| Descriptor 1 | Floral |
| Descriptor 2 | Violet |
| Descriptor 3 | Cucumber |
| Odor Impact1 | 1300 |
| Tenacity1 | 4 h |
| Tenacity2 | 112 h |
1 Source: PerfumersWorld
2 Source: The Good Scents Company
Both tenacity figures are blotter life. The two labs use different evaluation protocols, so the numbers are not directly comparable — read them as two independent readings, not as a contradiction.
Identification
| CAS Number | 111-80-8 |
| INCI Name | Methyl octine carbonate |
| Category | Aroma Chemical |
| Formula | C10H16O2 |
| Mol. Weight | 168.23 |
| IUPAC Name | methyl non-2-ynoate |
| InChIKey | NTLJTUMJJWVCTL-UHFFFAOYSA-N |
Synonyms
Methyl 2-nonynoate, Methyl octine carbonate 2-Nonynoic Acid, Methyl Ester, 2-Nonynoic Acid, Methyl Ester, methyl non-2-ynoate, methyl octin carbonate, methyl octine carbonate, no antioxidant, methyl octyn carbonate, methyl octyne carbonate, methyloctyne carboxylate, non-2-ynoic acid methyl ester, 2-nonynoic acid methyl ester, octyne carboxylic acid methyl ester, octynecarboxylic acid, methyl ester, 1-octynecarboxylic acid, methyl ester
Physical and chemical data
| Boiling Point | 121.5 °C @ 20 mmHg |
| Flash Point | 101.00 °C |
| Density | 0.913 |
| Refractive Index | 1.445 |
| Vapor Pressure | 0.057000 mmHg @ 25.00 C. (est) |
| LogP | 3.7 |
| Solubility | Soluble in oils; Insoluble in water |
| Appearance | Liquid |
Regulatory status
IFRA maximum concentrations
| Category | Use | Limit in the finished product |
|---|---|---|
| Category 1 | Lip products, toys | 0.0018 % |
| Category 2 | Deodorants, antiperspirants | 0.00055 % |
| Category 3 | Eye products | 0.011 % |
| Category 4 | Fine fragrance | 0.010 % |
| Category 5A | Body lotion | 0.0026 % |
| Category 5B | Face cream | 0.0026 % |
| Category 5C | Hand cream | 0.0026 % |
| Category 5D | Baby creams, oils | 0.0026 % |
| Category 6 | Oral care, mouthwash | 0.0061 % |
| Category 7A | Rinse-off hair products | 0.021 % |
| Category 7B | Leave-on hair products | 0.021 % |
| Category 8 | Intimate and baby wipes | 0.0011 % |
| Category 9 | Soap, shampoo, rinse-off | 0.020 % |
| Category 10A | Household care, hand contact | 0.072 % |
| Category 10B | Aerosol air fresheners | 0.072 % |
| Category 11A | Intended skin contact | 0.040 % |
| Category 11B | Minimal skin contact | 0.040 % |
| 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.