Benzylisothiocyanate
Aroma Chemical Top Note CAS 622-78-6
A green note with a watercress character and a soft horseradish facet. Medicinal and natural, it adds a dusty green lift to compositions.
Odor profile
| Note | Top Note |
| Descriptor 1 | Spicy |
| Descriptor 2 | Medicinal |
| Descriptor 3 | Horseradish |
| Tenacity2 | 15 h |
2 Source: The Good Scents Company
Identification
| CAS Number | 622-78-6 |
| Category | Aroma Chemical |
| Formula | C8H7NS |
| Mol. Weight | 149.21 |
| IUPAC Name | isothiocyanatomethylbenzene |
| InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
Synonyms
benzene, (isothiocyanatomethyl)-, benzyl isothio cyanate, benzyl mustard, benzyl mustard oil, phenylmethanisothiocyanate, phenylmethyl isothiocyanate, iso thiocyanatomethyl-benzene, (iso thiocyanatomethyl) benzene, (iso thiocyanatomethyl)benzene, (iso thiocyanatomethyl)benzol, iso thiocyanatomethylbenzene, a-iso thiocyanatotoluene, alpha-iso thiocyanatotoluene, iso thiocyanic acid benzyl ester, iso thiocyanic acid, benzyl ester, toluene, a-isothiocyanato-, tromacaps, tromalyt, urogran
Physical and chemical data
| Boiling Point | 242.00 °C |
| Melting Point | 41.00 °C |
| Flash Point | 100.00 °C |
| Density | 1.12100 |
| Refractive Index | 1.60000 |
| Vapor Pressure | 0.020000 mmHg @ 20.00 C. |
| LogP | 3.160 |
| Solubility | alcohol; water, 109 mg/L @ 25 C (exp); For experimental / research use only. |
| Appearance | colorless to pale yellow clear liquid |
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.