Saccharin - CAS 81-07-2

Catalog:	BB036603
Product Name:	Saccharin
CAS:	81-07-2
Synonyms:	1,2-Benzisothiazol-3(2H)-one 1,1-dioxide; 1,2-Dihydro-2-ketobenzisosulfonazole; Benzoic Sulfimide; o-Benzosulfimide; Benzosulfimide; Garantose; Glucid; Gluside; NSC 5349; Saccharimide; o-Sulfobenzimide

Technical Data

Related CAS:	128-44-9 (sodium salt) 6155-57-3 (sodium salt dihydrate)
IUPAC Name:	1,1-dioxo-1,2-benzothiazol-3-one
Description:	Saccharin is an orally active and non-caloric artificial sweetener used in beverages, foods, table-top sweeteners and oral hygiene products such as toothpastes and mouthwashs. Saccharin has bacteriostatic and microbiome-modulating properties.
Molecular Weight:	183.18
Molecular Formula:	C7H5NO3S
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
Boiling Point:	Sublimes
Melting Point:	226-230 °C
Purity:	95%
Density:	1.557 g/cm³
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	White crystalline solid
Storage:	Store at 2-8°C
Decomposition:	When heated to decomposition if emits very toxic fumes of /nitrogen oxides/, /sulfur oxides/ and sodium oxide
MDL:	MFCD00005866
LogP:	1.52830
pH:	pH of 0.35% aqueous solution: 2.0
Stability:	Stable. Incompatible with strong oxidizing agents.
Vapor Pressure:	0.00000064 [mmHg]

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
US-10973760-B1	Instantly dissolving buccal films	20200721
US-11020349-B1	Transmucosal dosage forms of remdesivir	20200714
US-11020474-B1	Producing recombinant SARS-CoV-2 spike protein in a pre-fusion state	20200625
US-11045434-B1	Niclosamide formulations for treating disease	20200401

PMID	Publication Date	Title	Journal
28472674	20170901	Saccharin induced liver inflammation in mice by altering the gut microbiota and its metabolic functions	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
29132732	20170401	The role of artificial and natural sweeteners in reducing the consumption of table sugar: A narrative review	Clinical nutrition ESPEN
26946349	20160901	Phenotypic and biomarker evaluation of zebrafish larvae as an alternative model to predict mammalian hepatotoxicity	Journal of applied toxicology : JAT
26272751	20151104	RNA transcripts for the quantification of differentiation allow marked improvements in the performance of embryonic stem cell test (EST)	Toxicology letters
25891526	20150703	Evaluation of early changes induced by diuron in the rat urinary bladder using different processing methods for scanning electron microscopy	Toxicology

Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.9990142
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.9990142
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9