Benzothiazole (CAS 95-16-9) — formula C7H5NS, molecular weight 135.01 g/mol.
| CAS Number | 95-16-9 |
|---|---|
| Molecular Formula | C7H5NS |
| Molecular Weight | 135.01 g/mol |
| Melting Point | 2 °C |
| Boiling Point | 227-228 °C AT 765 MM HG |
| LogP | 2 |
| Applications | Uses: Used as a flavor, antimicrobial agent, and component of cyanine dyes, Derivatives used as rubber accelerators, [HSDB] Used in organic synthesis, [Merck Index], FLAVORING SUBSTANCE OR ADJUVANT, RUBBER ACCELERATOR, THIAZOLES, ANTIMICROBIAL AGENT, Component of cyanine dyes, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Processing aids not otherwise specified, Consumer Uses: Processing aids not otherwise specified, Methods of Manufacturing: PREPD FROM N, N-DIMETHYLANILINE & SULFUR: KNOWLES, WATT, J ORG CHEM 7, 56 (1942)., BY REFLUXING MIXT OF ZINC O-AMINOPHENYLSULFIDE & FORMIC ACID, FOLLOWED BY STEAM DISTILLATION OF ALKALIZED REACTION MIXT...BY HEATING FORMANILID OR DIMETHYLANILINE WITH SULFUR...BY OXIDATION OF 2-MERCAPTOBENZOTHIAZOLE OR OF CORRESPONDING DISULFIDE..., U.S. Production: 2023: 250, 000 - <550, 000 lb, 2022: 1, 000, 000 - <5, 2021: 1, 2020: 550, 000 - <1, (1986) No Data, U.S. Imports: (1986) No Data, U.S. Exports: (1986) No Data, General Manufacturing Information: Rubber Product Manufacturing, Benzothiazole: ACTIVE, REPORTED USES: NON-ALCOHOLIC BEVERAGES, CANDY, BAKED GOODS, MEAT, MEAT SAUCES, SOUPS, MILK, DAIRY PRODUCTS ALL 0.5 PPM., FROM TABLE, BENZOTHIAZOLE IS USED TO PREVENT MICROBIAL GROWTH IN SHOES & ATHLETES FOOT DEVELOPMENT. POROUS INSOLES ARE IMPREGNATED WITH SOLN CONTAINING BENZOTHIAZOLE., ...IN...COCOA, SHALLOW-FRIED BEEF, SOYBEAN MILK, STORED CASEIN, HEATED MILK, STALE NON-FAT DRY MILK, & STERILIZED CONCENTRATED MILK...ONLY THIAZOLE DERIV REPORTED WAS BENZOTHIAZOLE., ...BENZOTHIAZOLE, WAS REPORTED, TO BE PRESENT IN BEER., For more General Manufacturing Information (Complete) data for BENZOTHIAZOLE (8 total), please visit the HSDB record page. |
Documented applications: Uses: Used as a flavor, antimicrobial agent, and component of cyanine dyes, Derivatives used as rubber accelerators, [HSDB] Used in organic synthesis, [Merck Index], FLAVORING SUBSTANCE OR ADJUVANT, RUBBER ACCELERATOR, THIAZOLES, ANTIMICROBIAL AGENT, Component of cyanine dyes, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Processing aids not otherwise specified, Consumer Uses: Processing aids not otherwise specified, Methods of Manufacturing: PREPD FROM N, N-DIMETHYLANILINE & SULFUR: KNOWLES, WATT, J ORG CHEM 7, 56 (1942)., BY REFLUXING MIXT OF ZINC O-AMINOPHENYLSULFIDE & FORMIC ACID, FOLLOWED BY STEAM DISTILLATION OF ALKALIZED REACTION MIXT...BY HEATING FORMANILID OR DIMETHYLANILINE WITH SULFUR...BY OXIDATION OF 2-MERCAPTOBENZOTHIAZOLE OR OF CORRESPONDING DISULFIDE..., U.S. Production: 2023: 250, 000 - <550, 000 lb, 2022: 1, 000, 000 - <5, 2021: 1, 2020: 550, 000 - <1, (1986) No Data, U.S. Imports: (1986) No Data, U.S. Exports: (1986) No Data, General Manufacturing Information: Rubber Product Manufacturing, Benzothiazole: ACTIVE, REPORTED USES: NON-ALCOHOLIC BEVERAGES, CANDY, BAKED GOODS, MEAT, MEAT SAUCES, SOUPS, MILK, DAIRY PRODUCTS ALL 0.5 PPM., FROM TABLE, BENZOTHIAZOLE IS USED TO PREVENT MICROBIAL GROWTH IN SHOES & ATHLETES FOOT DEVELOPMENT. POROUS INSOLES ARE IMPREGNATED WITH SOLN CONTAINING BENZOTHIAZOLE., ...IN...COCOA, SHALLOW-FRIED BEEF, SOYBEAN MILK, STORED CASEIN, HEATED MILK, STALE NON-FAT DRY MILK, & STERILIZED CONCENTRATED MILK...ONLY THIAZOLE DERIV REPORTED WAS BENZOTHIAZOLE., ...BENZOTHIAZOLE, WAS REPORTED, TO BE PRESENT IN BEER., For more General Manufacturing Information (Complete) data for BENZOTHIAZOLE (8 total), please visit the HSDB record page..
Benzothiazole is a chemical compound with CAS registry number 95-16-9 and molecular formula C7H5NS (molecular weight 135.01 g/mol).
CAS number: 95-16-9
Its molecular formula C7H5NS comprises 7 C, 5 H, 1 N, 1 S atoms.
Also known as: Benzothiazole · 苯并噻唑
The CAS registry number of Benzothiazole is 95-16-9.
Molecular formula C7H5NS, molecular weight 135.01 g/mol.
It is also registered under: Benzothiazole, 苯并噻唑.
Recorded applications: Uses: Used as a flavor, antimicrobial agent, and component of cyanine dyes, Derivatives used as rubber accelerators, [HSDB] Used in organic synthesis, [Merck Index], FLAVORING SUBSTANCE OR ADJUVANT, RUBBER ACCELERATOR, THIAZOLES, ANTIMICROBIAL AGENT, Component of cyanine dyes, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Processing aids not otherwise specified, Consumer Uses: Processing aids not otherwise specified, Methods of Manufacturing: PREPD FROM N, N-DIMETHYLANILINE & SULFUR: KNOWLES, WATT, J ORG CHEM 7, 56 (1942)., BY REFLUXING MIXT OF ZINC O-AMINOPHENYLSULFIDE & FORMIC ACID, FOLLOWED BY STEAM DISTILLATION OF ALKALIZED REACTION MIXT...BY HEATING FORMANILID OR DIMETHYLANILINE WITH SULFUR...BY OXIDATION OF 2-MERCAPTOBENZOTHIAZOLE OR OF CORRESPONDING DISULFIDE..., U.S. Production: 2023: 250, 000 - <550, 000 lb, 2022: 1, 000, 000 - <5, 2021: 1, 2020: 550, 000 - <1, (1986) No Data, U.S. Imports: (1986) No Data, U.S. Exports: (1986) No Data, General Manufacturing Information: Rubber Product Manufacturing, Benzothiazole: ACTIVE, REPORTED USES: NON-ALCOHOLIC BEVERAGES, CANDY, BAKED GOODS, MEAT, MEAT SAUCES, SOUPS, MILK, DAIRY PRODUCTS ALL 0.5 PPM., FROM TABLE, BENZOTHIAZOLE IS USED TO PREVENT MICROBIAL GROWTH IN SHOES & ATHLETES FOOT DEVELOPMENT. POROUS INSOLES ARE IMPREGNATED WITH SOLN CONTAINING BENZOTHIAZOLE., ...IN...COCOA, SHALLOW-FRIED BEEF, SOYBEAN MILK, STORED CASEIN, HEATED MILK, STALE NON-FAT DRY MILK, & STERILIZED CONCENTRATED MILK...ONLY THIAZOLE DERIV REPORTED WAS BENZOTHIAZOLE., ...BENZOTHIAZOLE, WAS REPORTED, TO BE PRESENT IN BEER., For more General Manufacturing Information (Complete) data for BENZOTHIAZOLE (8 total), please visit the HSDB record page..
Independent reference data for Benzothiazole (CAS 95-16-9), compiled from public chemistry databases.
| CAS Registry Number | 95-16-9 |
|---|---|
| PubChem CID | 7222 |
| Molecular formula | C7H5NS |
| Molecular weight | 135.01 g/mol |
| IUPAC name | 1,3-benzothiazole |
| InChIKey | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| UNII (FDA) | G5BW2593EP |
| ChEBI ID | CHEBI:45993 |
| FEMA number | 3256 |
| JECFA number | 1040 |
| Molecular Weight | 135.19 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 135.01427034 |
| Monoisotopic Mass | 135.01427034 |
| Topological Polar Surface Area | 41.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 227-228 °C AT 765 MM HG |
|---|---|
| Boiling Point | 231.00 to 233.00 °C. @ 760.00 mm Hg |
| Boiling Point | 231 °C |
| Boiling Point | 231 °C @760 [mm Hg] |
| Melting Point | 2 °C |
| Solubility | 4.3 mg/mL at 25 °C |
| Density | 1.246 AT 20 °C/4 °C |
| Density | 1.236-1.240 |
| Density | 1.238 @25 °C |
| Vapor Pressure | 0.01 [mmHg] |
BENZOTHIAZOLE; 95-16-9; 1,3-Benzothiazole; Benzosulfonazole; 1-Thia-3-azaindene; Vangard BT; USAF EK-4812; FEMA No. 3256; FEMA Number 3256; DTXSID7024586; O-2857; CHEBI:45993; G5BW2593EP; NSC-8040; DTXCID204586; RefChem:118563
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Nut, Rubber No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H301, H311 (10.2%), H302 (11.8%), H319 (88.3%), H332 (88.2%), H402, H412, H310 |
|---|
H301+H311 (10.2%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]
H301 (88.2%): Toxic if swallowed [Danger Acute toxicity, oral]
Benzothiazole is identified by CAS 95-16-9, molecular formula C7H5NS and molecular weight 135.01 g/mol. UNII G5BW2593EP; ChEBI 45993; InChIKey IOJUPLGTWVMSFF-UHFFFAOYSA-N. Boiling Point: 227-228 °C AT 765 MM HG; Boiling Point: 231.00 to 233.00 °C. @ 760.00 mm Hg; Boiling Point: 231 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯并噻唑