Thaumatin

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  • Identifiers

    CAS number
    53850-34-3

    Molecular formula
    C19H29N3O3S

    SMILES
    CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCCCCC3

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Odorless 58.09%
    Roasted 29.21%
    Cooked 26.93%
    Popcorn 26.61%
    Meaty 26.59%
    Savory 25.99%
    Nutty 22.07%
    Cooling 20.45%
    Animal 18.4%
    Fishy 17.45%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    379.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    693°C

    Flash point est.
    256.73 ˚C

    Solubility expt.

    • Very soluble in water, insoluble in acetone

  • Synonyms

    • THAUMATIN
    • 53850-34-3
    • Thaumatin B, recombinant
    • Thaumatin B
    • N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide
    • N-[4-(4-cycloheptylpiperazine-1-sulfonyl)phenyl]acetamide
    • Proteins, thaumatins
    • N-(4-(4-cycloheptylpiperazine-1-sulfonyl)phenyl)acetamide
    • Band 2 Protein
    • Neo san maruku ag
    • Neo san maruku dc
    • Thaumatin [BAN]
    • Protein, Band 2
    • Sansweet t 147
    • Talin (flavor protein)
    • THAUMATIN [FCC]
    • THAUMATIN [MI]
    • THAUMATIN [FHFI]
    • THAUMATIN [HSDB]
    • KNC9Q0EE6G
    • Oprea1_565606
    • Oprea1_669084
    • FEMA No. 3732
    • INS NO.957
    • HSDB 3927
    • INS-957
    • CHEBI:175005
    • DTXSID101018112
    • EINECS 258-822-2
    • HY-N12659
    • STK171150
    • AKOS001637661
    • DA-58512
    • CS-1012562
    • E-957
    • N-[4-(4-cycloheptylpiperazin-1-yl)sulonylphenyl]acetamide
    • N-{4-[(4-cycloheptylpiperazin-1-yl)sulfonyl]phenyl}acetamide
    • N-[4-(4-CYCLOHEPTYLPIPERAZIN-1-YLSULFONYL)PHENYL]ACETAMIDE
    • N~1~-{4-[(4-CYCLOHEPTYLPIPERAZINO)SULFONYL]PHENYL}ACETAMIDE
    • 258-822-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.46
    methanol 6.57
    isopropanol 1.19
    water 0.07
    ethyl acetate 7.35
    n-propanol 2.0
    acetone 11.04
    n-butanol 1.35
    acetonitrile 6.28
    DMF 80.89
    toluene 1.59
    isobutanol 1.27
    1,4-dioxane 7.37
    methyl acetate 9.02
    THF 17.29
    2-butanone 15.83
    n-pentanol 1.22
    sec-butanol 1.39
    n-hexane 0.01
    ethylene glycol 1.51
    NMP 104.78
    cyclohexane 0.04
    DMSO 56.62
    n-butyl acetate 5.35
    n-octanol 0.63
    chloroform 38.01
    n-propyl acetate 5.27
    acetic acid 21.12
    dichloromethane 35.88
    cyclohexanone 32.88
    propylene glycol 3.52
    isopropyl acetate 4.78
    DMAc 140.56
    2-ethoxyethanol 14.2
    isopentanol 1.42
    n-heptane 0.02
    ethyl formate 11.1
    1,2-dichloroethane 13.53
    n-hexanol 0.78
    2-methoxyethanol 22.94
    isobutyl acetate 3.0
    tetrachloromethane 1.57
    n-pentyl acetate 4.69
    transcutol 36.06
    n-heptanol 0.98
    ethylbenzene 0.68
    MIBK 4.34
    2-propoxyethanol 11.94
    tert-butanol 1.15
    MTBE 0.7
    2-butoxyethanol 7.67
    propionic acid 9.76
    o-xylene 1.34
    formic acid 19.58
    diethyl ether 0.69
    m-xylene 1.05
    p-xylene 1.25
    chlorobenzene 7.82
    dimethyl carbonate 7.43
    n-octane 0.01
    formamide 39.29
    cyclopentanone 51.73
    2-pentanone 7.2
    anisole 3.88
    cyclopentyl methyl ether 2.94
    gamma-butyrolactone 61.72
    1-methoxy-2-propanol 14.04
    pyridine 22.88
    3-pentanone 6.3
    furfural 85.91
    n-dodecane 0.02
    diethylene glycol 13.3
    diisopropyl ether 0.24
    tert-amyl alcohol 1.54
    acetylacetone 20.44
    n-hexadecane 0.02
    acetophenone 11.51
    methyl propionate 8.86
    isopentyl acetate 5.18
    trichloroethylene 68.71
    n-nonanol 0.8
    cyclohexanol 1.81
    benzyl alcohol 7.78
    2-ethylhexanol 0.74
    isooctanol 0.96
    dipropyl ether 0.6
    1,2-dichlorobenzene 9.61
    ethyl lactate 7.79
    propylene carbonate 31.88
    n-methylformamide 31.15
    2-pentanol 0.59
    n-pentane 0.01
    1-propoxy-2-propanol 7.74
    1-methoxy-2-propyl acetate 13.37
    2-(2-methoxypropoxy) propanol 13.07
    mesitylene 0.6
    ε-caprolactone 28.99
    p-cymene 0.84
    epichlorohydrin 51.04
    1,1,1-trichloroethane 8.26
    2-aminoethanol 4.17
    morpholine-4-carbaldehyde 71.21
    sulfolane 95.76
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 6.52
    n-hexyl acetate 3.77
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 13.07
    sec-butyl acetate 3.21
    tert-butyl acetate 4.65
    decalin 0.05
    glycerin 10.97
    diglyme 27.4
    acrylic acid 14.41
    isopropyl myristate 1.49
    n-butyric acid 11.59
    acetyl acetate 9.45
    di(2-ethylhexyl) phthalate 5.13
    ethyl propionate 4.5
    nitromethane 58.68
    1,2-diethoxyethane 4.72
    benzonitrile 13.24
    trioctyl phosphate 2.34
    1-bromopropane 1.86
    gamma-valerolactone 100.16
    n-decanol 0.56
    triethyl phosphate 4.83
    4-methyl-2-pentanol 0.56
    propionitrile 4.36
    vinylene carbonate 35.6
    1,1,2-trichlorotrifluoroethane 66.7
    DMS 9.06
    cumene 0.53
    2-octanol 0.57
    2-hexanone 5.36
    octyl acetate 2.29
    limonene 0.91
    1,2-dimethoxyethane 16.68
    ethyl orthosilicate 3.49
    tributyl phosphate 3.33
    diacetone alcohol 10.18
    N,N-dimethylaniline 2.57
    acrylonitrile 11.07
    aniline 5.86
    1,3-propanediol 5.37
    bromobenzene 6.18
    dibromomethane 11.38
    1,1,2,2-tetrachloroethane 37.77
    2-methyl-cyclohexyl acetate 5.64
    tetrabutyl urea 5.41
    diisobutyl methanol 0.54
    2-phenylethanol 6.38
    styrene 1.1
    dioctyl adipate 4.98
    dimethyl sulfate 27.22
    ethyl butyrate 5.03
    methyl lactate 13.18
    butyl lactate 7.7
    diethyl carbonate 4.88
    propanediol butyl ether 8.11
    triethyl orthoformate 4.31
    p-tert-butyltoluene 0.67
    methyl 4-tert-butylbenzoate 11.69
    morpholine 12.25
    tert-butylamine 0.33
    n-dodecanol 0.39
    dimethoxymethane 14.38
    ethylene carbonate 21.8
    cyrene 24.68
    2-ethoxyethyl acetate 12.75
    2-ethylhexyl acetate 4.0
    1,2,4-trichlorobenzene 15.11
    4-methylpyridine 17.88
    dibutyl ether 0.65
    2,6-dimethyl-4-heptanol 0.54
    DEF 16.7
    dimethyl isosorbide 27.31
    tetrachloroethylene 19.23
    eugenol 14.01
    triacetin 13.48
    span 80 8.4
    1,4-butanediol 2.69
    1,1-dichloroethane 7.9
    2-methyl-1-pentanol 1.51
    methyl formate 20.35
    2-methyl-1-butanol 1.44
    n-decane 0.03
    butyronitrile 3.75
    3,7-dimethyl-1-octanol 0.94
    1-chlorooctane 0.27
    1-chlorotetradecane 0.13
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 3.25
    tetrahydropyran 3.35
    tert-amyl methyl ether 0.96
    2,5,8-trioxanonane 21.24
    1-hexene 0.09
    2-isopropoxyethanol 7.15
    2,2,2-trifluoroethanol 17.14
    methyl butyrate 7.88

    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