Saccharin

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  • Identifiers

    CAS number
    81-07-2

    Molecular formula
    C7H5NO3S

    SMILES
    C1=CC=C2C(=C1)C(=O)NS2(=O)=O

  • Odor profile

    Fragrance
    Odorless 81.89%
    Burnt 23.82%
    Bitter 21.09%
    Pungent 16.33%
    Cooked 15.99%
    Nutty 14.45%
    Sharp 13.11%
    Savory 12.51%
    Aromatic 12.46%
    Caramellic 12.18%

     

    Flavor
    Bitter 83.83%
    Odorless 26.47%
    Nitrile 21.12%
    Very strong 18.89%
    Urine 18.79%
    Taco 18.73%
    Bread crust 18.65%
    Indole 18.61%
    Roasted peanuts 18.48%
    Lovage 18.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.8 (neutral)

    Molecular weight
    183.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 444 °F (decomposes) (NTP, 1992)
    • greater than 572 °F (Decomposes) (NTP, 1992)
    • 228 °C decomposes
    • 224 °C

    Boiling point

    • Sublimes (NTP, 1992)
    • Sublimes

    Flash point

    • 224.69 ˚C est.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 75 °F (NTP, 1992)
    • greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
    • 1 G SOL IN 2.6 ML WATER, 4.7 ML ALC /CALCIUM SALT/.
    • FREELY SOL IN WATER. /AMMONIUM SALT/
    • Slightly soluble in benzene, ethyl ether, chloroform; soluble in acetone, ethanol
    • Slightly soluble in deuterated dimethylsulfoxide
    • 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
    • Soluble in amyl acetate, ethyl acetate
    • For more Solubility (Complete) data for SACCHARIN (7 total), please visit the HSDB record page.
    • 4 mg/mL at 25 °C

  • Synonyms

    • saccharin
    • 81-07-2
    • o-Benzoic sulfimide
    • Saccharine
    • o-Sulfobenzimide
    • Saccharimide
    • Benzosulfimide
    • Garantose
    • o-Benzosulfimide
    • Benzoic sulfimide
    • Benzosulphimide
    • Saccharinol
    • Saccharinose
    • Gluside
    • Saccharin insoluble
    • Benzosulfinide
    • Hermesetas
    • Saccharol
    • Glucid
    • Sweeta
    • Benzoic sulphimide
    • Kandiset
    • Sacarina
    • Sucrette
    • Zaharina
    • Sykose
    • Saxin
    • Saccharin acid
    • o-Benzoyl sulfimide
    • Sucre edulcor
    • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide
    • Benzo-2-sulphimide
    • Benzoylsulfonic Imide
    • o-Benzosulphimide
    • Insoluble saccharin
    • 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide
    • Natreen
    • Sacharin
    • o-Benzoic sulphimide
    • o-Benzoyl sulphimide
    • o-Sulfobenzoic acid imide
    • 2-Sulphobenzoic imide
    • 2,3-Dihydro-3-oxobenzisosulfonazole
    • 550 Saccharine
    • Anhydro-o-sulfaminebenzoic acid
    • Benzo[d]isothiazol-3(2H)-one 1,1-dioxide
    • Benzoic acid sulfimide
    • 1,2-Dihydro-2-ketobenzisosulfonazole
    • 3-Benzisothiazolinone 1,1-dioxide
    • Benzosulfimide, O-
    • Rcra waste number U202
    • Sulfobenzimide, O-
    • 3-Hydroxybenzisothiazole S,S-dioxide
    • 1,1-dioxo-1,2-benzothiazol-3-one
    • Saccharinum
    • 2,3-Dihydro-3-oxobenzisosulphonazole
    • 1,2-Dihydro-2-ketobenzisosulphonazole
    • Benzo-sulphinide
    • 1,2-Benzisothiazolin-3-one 1,1-dioxide
    • 3-Hydroxybenzisothiazole-S,S-dioxide
    • 2-Sulfobenzoic acid imide
    • Saccharin, insoluble
    • SACCHARIN SODIUM
    • HSDB 669
    • Syncal
    • DTXSID5021251
    • o-Benzoic acid sulfimide
    • 1,2-Benzisothiazolin-3-one, 1,1-dioxide
    • UNII-FST467XS7D
    • NSC 5349
    • NSC 5731
    • NSC-5349
    • EINECS 201-321-0
    • FST467XS7D
    • Cristallose
    • Crystallose
    • Kristallose
    • Willosetten
    • Madhurin
    • Sucromat
    • Sodium saccharin
    • INS NO.954(I)
    • CHEBI:32111
    • Saccharin soluble
    • Sodium saccharide
    • Sodium saccharine
    • Soluble saccharin
    • AI3-38107
    • Saccharine soluble
    • INS-954(I)
    • Saccharin, sodium salt
    • E-954(I)
    • Sodium o-benzosulfimide
    • 1,1-Dioxide-1,2-benzisothiazolin-3-one
    • CHEMBL310671
    • DTXCID401251
    • 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one
    • 1,2-Benzothiazol-3(2H)-one 1,1-dioxide
    • 128-44-9
    • o-Sulfonbenzoic acid imide sodium salt
    • EC 201-321-0
    • 1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one
    • 1,1-Diox-1,2-benzisothiazol-3-one
    • 2,3-Dihydroxy-1,2-benzisothiazol-3-one-1,1-dioxide
    • NCGC00094918-03
    • E954
    • SACCHARIN (II)
    • SACCHARIN [II]
    • Saccharin, soluble
    • 1,2-Benzisothiazoline-3-one 1,1-dioxide
    • SACCHARIN (IARC)
    • SACCHARIN [IARC]
    • 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one
    • SACCHARIN (MART.)
    • SACCHARIN [MART.]
    • SACCHARIN (USP-RS)
    • SACCHARIN [USP-RS]
    • Sacharin [Czech]
    • Saccharin [USAN]
    • 2,3-dihydro-1$l^{6},2-benzothiazole-1,1,3-trione
    • 2,3-Dihydro-1,2-benzoisothiazol-3-one-1,1-dioxide
    • Artificial sweetening substanz gendorf 450
    • SACCHARIN (EP MONOGRAPH)
    • SACCHARIN [EP MONOGRAPH]
    • CAS-81-07-2
    • Saccharin [NF]
    • NSC4867
    • NSC5731

  • Applications

    Saccharin (CAS 81-07-2) is a synthetic high‑intensity sweetener widely used in foods and beverages to impart sweetness with little or no calories. In pharmaceuticals, it is used to mask bitter tastes in syrups, chewable tablets, and other dosage forms. In cosmetics and personal care, saccharin is employed as a sweetener or sensory additive in some dentifrices and oral care products. In industrial manufacturing and chemical synthesis, it serves as an intermediate in the preparation of saccharin derivatives and related sulfonamide compounds used in specialty chemicals and research applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.8
    methanol 42.62
    isopropanol 19.84
    water 2.0
    ethyl acetate 36.77
    n-propanol 15.61
    acetone 94.48
    n-butanol 13.46
    acetonitrile 28.42
    DMF 443.03
    toluene 1.59
    isobutanol 8.91
    1,4-dioxane 72.37
    methyl acetate 47.27
    THF 123.14
    2-butanone 56.07
    n-pentanol 9.85
    sec-butanol 14.55
    n-hexane 0.14
    ethylene glycol 34.2
    NMP 202.06
    cyclohexane 0.22
    DMSO 302.39
    n-butyl acetate 24.81
    n-octanol 16.16
    chloroform 5.63
    n-propyl acetate 24.6
    acetic acid 19.09
    dichloromethane 6.6
    cyclohexanone 63.98
    propylene glycol 24.95
    isopropyl acetate 25.02
    DMAc 223.26
    2-ethoxyethanol 72.39
    isopentanol 11.39
    n-heptane 0.39
    ethyl formate 40.35
    1,2-dichloroethane 10.71
    n-hexanol 13.8
    2-methoxyethanol 193.89
    isobutyl acetate 10.16
    tetrachloromethane 1.11
    n-pentyl acetate 21.08
    transcutol 182.85
    n-heptanol 11.25
    ethylbenzene 1.78
    MIBK 29.09
    2-propoxyethanol 77.16
    tert-butanol 20.3
    MTBE 7.85
    2-butoxyethanol 41.92
    propionic acid 18.05
    o-xylene 2.05
    formic acid 35.74
    diethyl ether 12.46
    m-xylene 2.16
    p-xylene 2.76
    chlorobenzene 5.05
    dimethyl carbonate 41.53
    n-octane 0.28
    formamide 109.99
    cyclopentanone 105.89
    2-pentanone 50.49
    anisole 18.36
    cyclopentyl methyl ether 21.73
    gamma-butyrolactone 110.86
    1-methoxy-2-propanol 123.9
    pyridine 25.7
    3-pentanone 27.19
    furfural 110.11
    n-dodecane 0.57
    diethylene glycol 110.58
    diisopropyl ether 3.52
    tert-amyl alcohol 13.91
    acetylacetone 100.16
    n-hexadecane 0.68
    acetophenone 28.54
    methyl propionate 43.73
    isopentyl acetate 17.73
    trichloroethylene 17.44
    n-nonanol 15.73
    cyclohexanol 9.75
    benzyl alcohol 15.7
    2-ethylhexanol 8.04
    isooctanol 7.49
    dipropyl ether 9.75
    1,2-dichlorobenzene 7.4
    ethyl lactate 32.26
    propylene carbonate 47.49
    n-methylformamide 136.79
    2-pentanol 9.9
    n-pentane 0.14
    1-propoxy-2-propanol 49.9
    1-methoxy-2-propyl acetate 45.99
    2-(2-methoxypropoxy) propanol 54.73
    mesitylene 1.94
    ε-caprolactone 49.89
    p-cymene 3.59
    epichlorohydrin 80.46
    1,1,1-trichloroethane 6.0
    2-aminoethanol 33.41
    morpholine-4-carbaldehyde 191.77
    sulfolane 141.3
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 35.56
    n-hexyl acetate 31.14
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 81.35
    sec-butyl acetate 14.28
    tert-butyl acetate 25.77
    decalin 0.3
    glycerin 65.76
    diglyme 125.81
    acrylic acid 20.59
    isopropyl myristate 15.27
    n-butyric acid 22.91
    acetyl acetate 27.97
    di(2-ethylhexyl) phthalate 15.16
    ethyl propionate 26.09
    nitromethane 134.87
    1,2-diethoxyethane 36.25
    benzonitrile 22.27
    trioctyl phosphate 13.08
    1-bromopropane 3.09
    gamma-valerolactone 159.6
    n-decanol 12.31
    triethyl phosphate 13.87
    4-methyl-2-pentanol 6.69
    propionitrile 22.6
    vinylene carbonate 40.48
    1,1,2-trichlorotrifluoroethane 66.82
    DMS 32.81
    cumene 1.77
    2-octanol 9.45
    2-hexanone 30.38
    octyl acetate 20.93
    limonene 4.84
    1,2-dimethoxyethane 123.97
    ethyl orthosilicate 10.31
    tributyl phosphate 15.03
    diacetone alcohol 59.35
    N,N-dimethylaniline 13.01
    acrylonitrile 42.56
    aniline 8.14
    1,3-propanediol 50.46
    bromobenzene 3.2
    dibromomethane 3.51
    1,1,2,2-tetrachloroethane 17.72
    2-methyl-cyclohexyl acetate 17.29
    tetrabutyl urea 28.53
    diisobutyl methanol 5.68
    2-phenylethanol 22.38
    styrene 2.11
    dioctyl adipate 20.51
    dimethyl sulfate 78.27
    ethyl butyrate 21.86
    methyl lactate 66.75
    butyl lactate 26.73
    diethyl carbonate 15.57
    propanediol butyl ether 52.47
    triethyl orthoformate 14.86
    p-tert-butyltoluene 3.37
    methyl 4-tert-butylbenzoate 30.11
    morpholine 76.16
    tert-butylamine 6.06
    n-dodecanol 9.06
    dimethoxymethane 155.65
    ethylene carbonate 34.28
    cyrene 53.72
    2-ethoxyethyl acetate 36.43
    2-ethylhexyl acetate 13.65
    1,2,4-trichlorobenzene 10.01
    4-methylpyridine 24.8
    dibutyl ether 12.03
    2,6-dimethyl-4-heptanol 5.68
    DEF 75.0
    dimethyl isosorbide 81.61
    tetrachloroethylene 8.9
    eugenol 43.6
    triacetin 36.3
    span 80 34.55
    1,4-butanediol 21.03
    1,1-dichloroethane 5.79
    2-methyl-1-pentanol 7.55
    methyl formate 107.71
    2-methyl-1-butanol 8.92
    n-decane 0.72
    butyronitrile 21.92
    3,7-dimethyl-1-octanol 11.28
    1-chlorooctane 4.6
    1-chlorotetradecane 2.54
    n-nonane 0.54
    undecane 0.64
    tert-butylcyclohexane 0.26
    cyclooctane 0.13
    cyclopentanol 19.74
    tetrahydropyran 20.39
    tert-amyl methyl ether 8.92
    2,5,8-trioxanonane 99.22
    1-hexene 0.91
    2-isopropoxyethanol 37.82
    2,2,2-trifluoroethanol 22.43
    methyl butyrate 35.34

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction