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Chemical Properties

CAS Registry Number: 81-07-2

Selected information from two of the National Library of Medicine's databases: ChemIDPlus2 and HSDB3.

Names 1

  • 1,1-Dioxide-1,2-Benzisothiazol-3(2h)-One (9ci)

Structure

Chemical Structure for Chemical Abstracts Service Registry Number 81-07-2 from NLM

Synonyms (Sources: NTP,HSDB,RTECS,MESH)2

  • 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide
  • 1,2-Benzisothiazolin-3-one 1,1-dioxide
  • 1,2-Dihydro-2-ketobenzisosulfonazole
  • 1,2-Dihydro-2-ketobenzisosulphonazole
  • 2,3-Dihydro-3-oxobenzisosulfonazole
  • 2,3-Dihydro-3-oxobenzisosulphonazole
  • 2-Sulphobenzoic imide
  • 3-Benzisothiazolinone 1,1-dioxide
  • 3-Hydroxybenzisothiazole-S,S-dioxide
  • Anhydro-o-sulfaminebenzoic acid
  • Benzo-2-sulphimide
  • Benzoic sulfimide
  • Benzoic sulphimide
  • Benzosulfinide
  • Benzosulphimide
  • Benzoylsulfonic Imide
  • Garantose
  • Glucid
  • Gluside
  • HSDB 669
  • Hermesetas
  • Insoluble saccharin
  • Kandiset
  • Natreen
  • RCRA waste number U202
  • Sacarina
  • Saccharimide
  • Saccharin
  • Saccharin acid
  • Saccharin insoluble
  • Saccharina
  • Saccharine
  • Saccharinol
  • Saccharinose
  • Saccharol
  • Sacharin [Czech]
  • Saxin
  • Sucre edulcor
  • Sucrette
  • Sykose
  • Zaharina
  • o-Benzoic sulfimide
  • o-Benzoic sulphimide
  • o-Benzosulfimide
  • o-Benzosulphimide
  • o-Benzoyl sulfimide
  • o-Benzoyl sulphimide
  • o-Sulfobenzimide
  • o-Sulfobenzoic acid imide

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Other Registry Numbers2

  • 126987-83-5
  • 474-91-9
  • 61255-27-4
  • 890126-34-8

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Chemical Properties3

Property Description
Boiling Point
  • Sublimes
Color/Form
  • Monoclinic crystals
  • Needles from acetone; prisms from alcohol; leaflets from water
  • White crystals
  • White, crystalline powder
Corrosivity
  • None Found
Critical Temperature & Pressure
  • None Found
Density/Specific Gravity
  • 0.828 g/cu cm at 25 deg C
Dissociation Constants
  • pKa = 1.31 at 25 deg C for the conjugate acid
Heat Of Combustion
  • At constant volume: 4753.1 cal/g
Heat Of Vaporization
  • None Found
Melting Point
  • 228 deg C decomposes
Molecular Weight
  • 183.185
Odor
  • ODORLESS OR HAS FAINT AROMATIC ODOR.
Other Chemical/Physical Properties
  • 1 G SOL IN 2.6 ML WATER, 4.7 ML ALC /CALCIUM SALT/.
  • Crystalline powder. In dilute aqueous solution it is 300-500 times as sweet as sugar. 1 g dissolves in 1.2 mL water, about 50 mL alcohol. Aqueous solutions are neutral or alkaline to litmus, but not to phenolphthalein; effloresces in dry air. /Saccharin sodium salt dihydrate/
  • FREELY SOL IN WATER. /AMMONIUM SALT/
  • Henry's Law constant = 1.23X10-9 atm-cu m/mol at 25 deg C (est)
  • Hydroxyl radical reaction rate constant = 5.88X10-12 cu cm/molec-sec at 25 deg C (est)
  • SOL: 2.6 G/100 G 92.5% ETHANOL-WATER @ 25 DEG C; 44.7 G/100 G PROPYLENE @ 25 DEG C; 46.2 G/100 ML GLYCOL @ 25 DEG C; 55.8 G/100 G GLYCERIN @ 25 DEG C. /SODIUM SALT/
  • SOL: 30.5 G/100 G 92.5% ETHANOL-WATER MIXT @ 25 DEG C; 35.1 G/100 G PROPYLENE @ 25 DEG C; 36.3 G/100 ML GLYCOL @ 25 DEG C; 13.3 G/100 ML GLYCERIN @ 25 DEG C. /CALCIUM SALT/
  • Sugar equivalence value relative to sucrose = 300
  • Twinning on (001). Perfect 100 cleavage; acicular crystals by vacuum sublimation.
Relative Evaporation Rate
  • None Found
Solubilities
  • 1 g dissolves 31 mL alcohol, 12 mL acetone, and in about 50 mL glycerol; freely soluble in solution of alkali carbonates; slightly soluble in chloroform, ether
  • 1 g dissolves in 290 mL water, 25 mL boiling water
  • DISSOLVED BY DIL SOLN OF AMMONIA, SOLN OF ALKALI HYDROXIDES
  • In water, 4,000 mg/L at 25 deg C
  • Slightly soluble in benzene, ethyl ether, chloroform; soluble in acetone, ethanol
  • Slightly soluble in deuterated dimethylsulfoxide
  • Soluble in amyl acetate, ethyl acetate
Spectral Properties
  • 1H NMR: 6667 (Sadtler Research Laboratories Spectral Collection)
  • IR: 5038 (Coblentz Society Spectral Collection)
  • MASS: 7732 (NIST/EPA/MSDC Mass Spectral Database, 1990 Version)
  • Raman: 126 (Sadtler Research Laboratories Spectral Collection)
  • SADTLER REF NUMBER: 322 (IR, PRISM); 110 (IR, GRATING)
  • UV max absorption (0.1 N NaOH): 267.3 nm (epsilon = 1570)
  • UV: 15734 (Sadtler Research Laboratories Spectral Collection)
Surface Tension
  • None Found
Taste
  • Bitter, metallic aftertaste
  • In dilute aqueous solution it is 500 times as sweet as sugar; sweet taste detectable in 1:100,000 dilution.
Vapor Density
  • None Found
Vapor Pressure
  • 1.03X10-7 mm Hg at 25 deg C (est)
Viscosity
  • None Found
log P (octanol-water)
  • log Kow = 0.91
pH
  • pH of 0.35% aqueous solution: 2.0

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Uses3

  • A sweetening agent in Aromatic Cascara Sagrada Fluid extract and highly alcoholic preparations. ... It is used as a sweetening agent in vehicles, canned foods, and beverages and in diets for diabetics to replace sucrose. **PEER REVIEWED**
  • Add sweetness with or without the extra calories ... /in/ beverages, baked goods, confections, table-top sugar, substitutes, many processed foods **PEER REVIEWED**
  • NON-CALORIC SYNTHETIC SWEETENER IN TABLETS, LIQ PRODUCTS, SOFT DRINKS, DIETETIC FOODS, MISC PHARMACEUTICALS, CHEWING GUM, TOOTH PASTE, SMOKELESS TOBACCO PRODUCTS; ELECTROPLATING BATH ADDITIVE; CATTLE FEED ADDITIVE; ANTISEPTIC (FORMER USE); PRESERVATIVE TO RETARD FERMENTATION OF FOOD (FORMER USE). **PEER REVIEWED**
  • Non-nutritive sweetener; pharmaceutic aid (flavor). In formulations for electroplating-bath brighteners **PEER REVIEWED**
  • Saccharin has been used in the sweetening of pharmaceutical tablets and in processing of tobacco. **PEER REVIEWED**

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Notes (Sources: NTP,HSDB,RTECS,MESH)2

  • Flavoring agent and non-nutritive sweetener.

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Superlist Classes2

  • Overall Carcinogenic Evaluation: Group 3
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 100 lb

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Links to Additional Information2

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Footnotes

1 Source: the NTP's CEBS database.

2 Source: the National Library of Medicine's ChemIDPlus, 02/28/2017.

3 Source: the National Library of Medicine's Hazardous Substance Database, 02/28/2017.

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