Benzyl isothiocyanate (CAS 622-78-6) — formula C8H7NS, molecular weight 149.03 g/mol; category food flavors.
Benzyl isothiocyanate (CAS 622-78-6) is a food flavors. Its molecular formula C8H7NS comprises 8 C, 7 H, 1 N, 1 S atoms. Its molecular weight is about 149.03 g/mol. Reported physicochemical data: melting point around 41 °C, boiling point around 242.00 to 243.00 °C. @ 760.00 mm Hg, LogP about 3.16. Flavors are used to provide or enhance aroma in food and beverages, and must comply with food flavoring regulations. Widely used in beverages, confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 622-78-6 |
|---|---|
| Molecular Formula | C8H7NS |
| Molecular Weight | 149.03 g/mol |
| Melting Point | 41 °C |
| Boiling Point | 242.00 to 243.00 °C. @ 760.00 mm Hg |
| LogP | 3.16 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Flavors |
Documented applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Benzyl isothiocyanate is a flavoring compound with CAS registry number 622-78-6 and molecular formula C8H7NS (molecular weight 149.03 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 622-78-6
Its molecular formula C8H7NS comprises 8 C, 7 H, 1 N, 1 S atoms.
Also known as: Benzyl isothiocyanate · 十二(烷)酸苄酯苯基酯
Category: food flavors
The CAS registry number of Benzyl isothiocyanate is 622-78-6.
Molecular formula C8H7NS, molecular weight 149.03 g/mol.
It is also registered under: Benzyl isothiocyanate, 十二(烷)酸苄酯苯基酯.
Recorded applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Benzyl isothiocyanate (CAS 622-78-6), compiled from public chemistry databases.
| CAS Registry Number | 622-78-6 |
|---|---|
| PubChem CID | 2346 |
| Molecular formula | C8H7NS |
| Molecular weight | 149.03 g/mol |
| IUPAC name | isothiocyanatomethylbenzene |
| InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| UNII (FDA) | 871J6YOR8Q |
| ChEBI ID | CHEBI:17484 |
| FEMA number | 4428 |
| JECFA number | 1562 |
| Molecular Weight | 149.21 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 149.02992040 |
| Monoisotopic Mass | 149.02992040 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 10 |
| Boiling Point | 242.00 to 243.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 243 °C |
| Melting Point | 41 °C |
| Solubility | 0.109 mg/mL at 25 °C |
| Density | 1.121-1.127 |
| LogP | 3.16 |
| Refractive Index | 1.600-1.606 |
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 & 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 |
|---|
| 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]
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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 十二(烷)酸苄酯苯基酯