2S-[(1-Carboxyethyl)amino]-benzenebutanoic Acid Methyl Ester
- CAS
- 1356354-32-9
- Formula
- C14H19NO4
- MW
- 265.3 g/mol
ZX-042913
Carboxylic Acids & Salts
Ochratoxin B
Available on request
Order Ochratoxin B (CAS 4825-86-9) online at Zemixal: C20H19NO6, COA and SDS with every lot, worldwide shipping. Catalogue no. ZX-042927.
CAS number4825-86-9
FormulaC20H19NO6
Molar mass369.4 g/mol
HS code2933
InChIKeyDAEYIVCTQUFNTM-ABAIWWIYSA-N
IUPAC name(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
About Ochratoxin B
Researchers and plant chemists source Ochratoxin B from Zemixal for routine and specialised work. For your records, the material is defined by CAS 4825-86-9, formula C20H19NO6 and molar mass 369.4 g/mol.
Common uses in the lab and plant
- Organic synthesis
- API synthesis
Handling and storage
Hazard communication follows GHS (Danger: H301, H315, H319 and H335). Our SDS lists exposure controls and first-aid measures.
Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and custom quantities are quoted on request. Every shipment includes a batch certificate of analysis and a 16-section SDS. Request pricing online and we confirm availability, documentation and freight to your country.
Typical uses
- Organic synthesis
- API synthesis
Applications
Specifications and identifiers
| Product name | Ochratoxin B |
|---|---|
| Catalogue number | ZX-042927 |
| CAS number | 4825-86-9 |
| IUPAC name | (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid |
| Molecular formula | C20H19NO6 |
| Molar mass | 369.4 g/mol |
| Exact mass | 369.1212 |
| XLogP3 | 4.1 |
| H-bond donors / acceptors | 3 / 6 |
| Topological polar surface area | 113 Ų |
| HS code | 2933 |
| InChIKey | DAEYIVCTQUFNTM-ABAIWWIYSA-N |
| SMILES | C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1 |
| PubChem CID | 20966 |
| Synonyms | Alanine, N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)-, Alanine, N-[(8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, (-)-, Ochratoxin B(OTB), N-[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine, N-[(8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]phenylalanine #, N-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Danger
- H301Toxic if swallowed
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements P261, P264, P264 + P265, P270, P271, P280, P301 + P316, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 100 mg | Quoted on request | |
| 250 mg | Quoted on request | |
| 1 g | Quoted on request | |
| 5 g | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about Ochratoxin B
Which CAS number identifies Ochratoxin B?
Ochratoxin B is registered under CAS 4825-86-9. You may also see it listed as Alanine, N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)-, Alanine, N-[(8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, (-)-, Ochratoxin B(OTB). Our catalogue number for this item is ZX-042927.
What are the formula and molar mass of Ochratoxin B?
For Ochratoxin B, its formula is C20H19NO6 and its molar mass is 369.4 g/mol. The systematic (IUPAC) name is (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid. InChIKey DAEYIVCTQUFNTM-ABAIWWIYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Ochratoxin B?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 100 mg, 250 mg, 1 g, 5 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Ochratoxin B?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Ochratoxin B to my country?
Yes. Because Ochratoxin B is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.
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