Allyl isothiocyanate (CAS 57-06-7) — formula C4H5NS, molecular weight 99.01 g/mol; category food flavors.
Allyl isothiocyanate (CAS 57-06-7) is a food flavors. Its molecular formula C4H5NS comprises 4 C, 5 H, 1 N, 1 S atoms. Its molecular weight is about 99.01 g/mol. Reported physicochemical data: melting point around -112 °F (NTP, 1992), boiling point around 304 °F at 760 mmHg (NTP, 1992), LogP about 2.4. 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 | 57-06-7 |
|---|---|
| Molecular Formula | C4H5NS |
| Molecular Weight | 99.01 g/mol |
| Melting Point | -112 °F (NTP, 1992) |
| Boiling Point | 304 °F at 760 mmHg (NTP, 1992) |
| LogP | 2.4 |
| 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.
Allyl isothiocyanate is a flavoring compound with CAS registry number 57-06-7 and molecular formula C4H5NS (molecular weight 99.01 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 57-06-7
Its molecular formula C4H5NS comprises 4 C, 5 H, 1 N, 1 S atoms.
Also known as: Allyl isothiocyanate · 异硫氰酸烯丙酯
Category: food flavors
The CAS registry number of Allyl isothiocyanate is 57-06-7.
Molecular formula C4H5NS, molecular weight 99.01 g/mol.
It is also registered under: Allyl isothiocyanate, 异硫氰酸烯丙酯.
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 Allyl isothiocyanate (CAS 57-06-7), compiled from public chemistry databases.
| CAS Number | 57-06-7 |
|---|---|
| PubChem CID | 5971 |
| Molecular Formula | C4H5NS |
| Molecular Weight | 99.01 g/mol |
| IUPAC Name | 3-isothiocyanatoprop-1-ene |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| UNII (FDA) | BN34FX42G3 |
| Molecular Weight | 99.16 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 99.01427034 |
| Monoisotopic Mass | 99.01427034 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 6 |
| Boiling Point | 304 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 152 °C |
| Boiling Point | 150.00 to 152.00 °C. @ 760.00 mm Hg |
| Boiling Point | 148-154 °C |
| Boiling Point | 150-151 °C |
| Boiling Point | 150.7 °C @760 [mm Hg] |
| Melting Point | -112 °F (NTP, 1992) |
| Melting Point | -80 °C |
| Melting Point | -102.5 °C |
| Flash Point | 115 °F (NTP, 1992) |
ALLYL ISOTHIOCYANATE; 57-06-7; 3-isothiocyanatoprop-1-ene; AITC; Redskin; Allylsenfoel; Allylsenevol; Oleum sinapis; Allyl isosulfocyanate; Allylsevenolum; Senfoel; 3-Isothiocyanato-1-propene; 2-Propenyl isothiocyanate; Allyspol; Carbospol; 1-Propene, 3-isothiocyanato-
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Garlic, Pungent, Sulfur Volatile oil of mustard |
|---|---|
| GHS notifications | 0.3% (5 / 1488) |
| GHS notifications | 0.3% (5 / 1488) |
|---|---|
| Notified hazard statements | H226 (98.6%), H301 (97.4%), H310 (97.2%), H315 (95%), H319 (97.1%), H330 (95.4%), H400 (99.4%), H410 (99.3%) |
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异硫氰酸烯丙酯