Benzyl isothiocyanate

Independent reference data for Benzyl isothiocyanate (CAS 622-78-6), compiled from public chemistry databases.

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Documented uses on record

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

Synonyms and trade names

benzyl isothiocyanate; 622-78-6; Benzylisothiocyanate; (Isothiocyanatomethyl)benzene; Benzylsenfoel; Tromacaps; Tromalyt; Urogran; Benzene, (isothiocyanatomethyl)-; Isothiocyanic acid, benzyl ester; isothiocyanatomethylbenzene; BITC; DTXSID0020155; phenylmethyl isothiocyanate; PMITC cpd; 871J6YOR8Q

Regulatory listings held on file

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent ">TRS 934-JECFA 65/64

GHS hazard classification

Reported hazard statements	H319 (99.7%), H335 (99.6%)

H319 (99.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (99.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

What the public record says

Benzyl isothiocyanate is identified by CAS 622-78-6, molecular formula C8H7NS and molecular weight 149.03 g/mol. UNII 871J6YOR8Q; ChEBI 17484; InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N. Boiling Point: 242.00 to 243.00 °C. @ 760.00 mm Hg; Boiling Point: 243 °C; Melting Point: 41 °C.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.