Saccharin

• CAS: 81-07-2
• Catalog Number: ACM81072
• Category: Other Products
• Molecular Weight: 183.19
• Molecular Formula: C7H5NO3S
• Description: Colorless to white crystalline or White crystalline powder, odorless or slightly aromatic. Extremely sweet, still sweet in water diluted 10,000 times. Its dilute solution is about 500 times sweeter than sucrose, with a slightly bitter taste.
• Synonyms: 1,2-Benzisothiaxol-3(2H)-one
• IUPAC Name: 1,1-Dioxo-1,2-benzothiazol-3-one
• Canonical SMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=O
• InChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
• InChI Key: CVHZOJJKTDOEJC-UHFFFAOYSA-N
• Melting Point: 226-229 °C
• Density: 0.828 g/cu cm at 25 °C
• Solubility: Slightly soluble in benzene, ethyl ether, chloroform; soluble in acetone, ethanol
• Appearance: White crystalline solid
• Active Content: 95%
• Assay: 0.99
• EC Number: 201-321-0
• Exact Mass: 182.9990142
• MDL Number: MFCD00005866
• Monoisotopic Mass: 182.9990142
• Odor: Odorless
• Packaging: 25 kg
• Physical State: Solid
• Safety Description: 24/25
• Stability: Stable. Incompatible with strong oxidizing agents.
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 71.6 Ų

Custom Q&A

What is the molecular formula of saccharin?

The molecular formula of saccharin is C7H5NO3S.

What is the molecular weight of saccharin?

The molecular weight of saccharin is 183.19 g/mol.

What is the IUPAC name of saccharin?

The IUPAC name of saccharin is 1,1-dioxo-1,2-benzothiazol-3-one.

What are the synonyms of saccharin?

The synonyms of saccharin are saccharin, o-Benzoic sulfimide, o-Sulfobenzimide, Saccharine, and more.

What is the InChI of saccharin?

The InChI of saccharin is InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9).

What is the InChIKey of saccharin?

The InChIKey of saccharin is CVHZOJJKTDOEJC-UHFFFAOYSA-N.

What is the canonical SMILES of saccharin?

The canonical SMILES of saccharin is C1=CC=C2C(=C1)C(=O)NS2(=O)=O.

What is the CAS number of saccharin?

The CAS number of saccharin is 81-07-2.

What is the UNII of saccharin?

The UNII of saccharin is FST467XS7D.

What is the ChEMBL ID of saccharin?

The ChEMBL ID of saccharin is CHEMBL310671.

Synthetic Use

Upstream Synthesis Route 1

• 14070-51-0
• 108-88-3

• 100-44-7
• 81-07-2

Reference: [1]Chemische Berichte,1923,vol. 56,p. 1814

Upstream Synthesis Route 2

• 59777-72-9

• 64-17-5
• 81-07-2

Reference: [1]Chemische Berichte,1887,vol. 20,p. 1603

Upstream Synthesis Route 3

• 632-24-6

• 81-07-2

Reference: [1]American Chemical Journal,1886,vol. 8,p. 169
[2]American Chemical Journal,1906,vol. 35,p. 339

Downstream Synthesis Route 1

• 7664-93-9
• 81-07-2

• 936-16-3

Reference: [1] Mem. Coll. Sci. Kyoto Univ., 1932, vol. 15, p. 151,152

Downstream Synthesis Route 2

• 81-07-2

• 936-16-3

Reference: [1] Patent: WO2018/49324, 2018, A1, . Location in patent: Page/Page column 25

Downstream Synthesis Route 3

• 81-07-2

• 27148-03-4

Reference: [1] Pharmazie, 2005, vol. 60, # 10, p. 723 - 731

* For details of the synthesis route, please refer to the original source to ensure accuracy.