Santonox

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  • Identifiers

    CAS number
    96-69-5

    Molecular formula
    C22H30O2S

    SMILES
    CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 49.79%
    Burnt 38.62%
    Smoky 35.95%
    Woody 35.33%
    Leathery 32.42%
    Spicy 31.9%
    Dry 30.64%
    Fruity 29.12%
    Meaty 28.74%
    Musk 25.2%

     

    Flavor
    Phenolic 39.17%
    Bitter 33.05%
    Camphor 31.94%
    Musty 28.15%
    Mild 26.82%
    Medicinal 23.68%
    Creosote 22.63%
    Thymol 22.62%
    Green pepper 22.06%
    Burnt 22.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    8.3 (weak base)

    Molecular weight
    358.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    660°C

    Melting point expt.

    • 302 °F (NTP, 1992)
    • 150 °C
    • SANTONOX R MELTING POINT: 161 °C
    • 302 °F

    Flash point

    • 212.06 ˚C est.
    • 420 °F (NTP, 1992)
    • 420 °F

    Solubility expt.

    • less than 0.1 mg/mL at 64 °F (NTP, 1992)
    • VERY SOL IN METHANOL (79%); SOL IN ACETONE (20%); SLIGHTLY SOL IN BENZENE (5%); VERY SLIGHTLY SOL IN WATER (0.08%)
    • 0.08%

  • Synonyms

    • 4,4'-Thiobis(6-tert-butyl-m-cresol)
    • Sumilizer WX
    • Santonox BM
    • Yoshinox SR
    • Thioalkofen MBCh
    • Thioalkofen BMCH
    • SANTONOX
    • Sumilizer WX-R
    • Santowhite crystals
    • Santonox R
    • Disperse MB-61
    • Thioalkofen BM 4
    • Antioxidant AO
    • Thioalkophene BM-4
    • 4,4'-Thiobis(2-tert-butyl-5-methylphenol)
    • Yoshinox S
    • Usaf B-15
    • Nonflex BPS
    • Antage Crystal
    • Nocrac 300
    • Antioxidant TMB 6
    • Ultranox 236
    • Lowinox 44S36
    • Bis(3-tert-butyl-4-hydroxy-6-methylphenyl) sulfide
    • Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide
    • NSC 35388
    • 4,4'-Thiobis(6-tert-butyl-3-methylphenol)
    • CCRIS 4917
    • 1,1'-Thiobis(2-methyl-4-hydroxy-5-tert-butylbenzene)
    • DTXSID4021341
    • HSDB 5304
    • 6,6'-Di-tert-butyl-4,4'-thiodi-m-cresol
    • EINECS 202-525-2
    • BRN 1147776
    • m-Cresol, 4,4'-thiobis(6-tert-butyl-
    • 3CA5G9822V
    • SANTONOX [HSDB]
    • NSC-35388
    • m-Cresol, 4,4'-thiobis[6-tert-butyl-
    • 4,4'-Thiobis(2-(1,1-dimethylethyl)-5-methylphenol)
    • DTXCID301341
    • EC 202-525-2
    • 4-06-00-06043 (Beilstein Handbook Reference)
    • 4,4'-Thiobis[6-tert-butyl-m-cresol]
    • 4,4-THIO-BIS-2-TERTBUTYL-5-METHYLPHENOL
    • THIOBIS(6-TERT-BUTYL-M-CRESOL), 4,4'-
    • 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methylphenol]
    • thioalkofen bm4
    • 4,4'-thiobis[2-tert-butyl-5-methylphenol]
    • 4,4'-thiobis[6-tert-butyl-3-methylphenol]
    • 4,4'-Thiobis
    • SANTOWHITE CRYSTAL
    • Sumilizer WXR
    • Thioalkophene BM4
    • Disperse MB61
    • SEENOX BCS
    • NONFLEX BPS-R
    • SUMILIZER WX-RC
    • LOWINOX TBM 6
    • RefChem:884555
    • DISPERSE MB 61
    • ZBX 1R
    • bis(2-methyl-4-hydroxy-5-tert-butylphenyl) sulfide
    • 4,4'Thiobis(6tertbutylmcresol)
    • 4,4`Thiobis(6tertbutylmcresol)
    • 4,4'Thiobis(2tertbutyl5methylphenol)
    • 4,4'Thiobis(3methyl6tertbutylphenol)
    • 4,4'Thiobis(6tertbutyl3methylphenol)
    • Bis(3tertbutyl4hydroxy6methylphenyl) sulfide
    • Bis(4hydroxy5tertbutyl2methylphenyl) sulfide
    • N 300
    • 1,1'Thiobis(2methyl4hydroxy5tertbutylbenzene)
    • 4,4'Thiobis(2(1,1dimethylethyl)5methylphenol)
    • 4,4'-thiobis(2-(1,1-dimethylethyl)-5-methyl-phenol
    • 4,4'-Thiobis(6-tert-butyl-m-cresol) (ACGIH,OSHA)
    • BIS(2-METHYL-5-TERT-BUTYL-4-HYDROXYPHENYL) SULFIDE
    • 1,1'-THIOBIS(2-METHYL-4-HYDROXY-5-TERT-BUTYL)BENZENE
    • 2,2'-DI-TERT-BUTYL-5,5'-DIMETHYL-4,4'-THIODIPHENOL
    • 96-69-5
    • 4,4'-Thiobis(2-(tert-butyl)-5-methylphenol)
    • Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl-
    • 4,4'-Thiobis(3-methyl-6-tert-butylphenol)
    • 4,4'-thiobis(6-t-butyl-m-cresol)
    • 4,4-Thiobis(6-tert-butyl-m-cresol)
    • 5-tert-Butyl-4-hydroxy-2-methylphenyl sulfide
    • C22H30O2S
    • Bis(5-tert-butyl-4-hydroxy-2-methylphenyl) Sulfide
    • MFCD00026287
    • 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
    • ST029248
    • 4,4'-Sulfanediylbis(2-tert-butyl-5-methylphenol)
    • NSC35388
    • Phenol, 4,4'-thiobis(2-(1,1-dimethylethyl)-5-methyl-
    • 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenol
    • m-Cresol,4'-thiobis(6-tert-butyl-
    • m-Cresol,4'-thiobis[6-tert-butyl-
    • 2-(tert-butyl)-4-[5-(tert-butyl)-4-hydroxy-2-methylphenylthio]-5-methylphenol
    • 4,4'-Thiobis(6-tert-butyl-m-cresol); 2-tert-Butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;
    • 4,4'-Thiobis(6-tert-butyl-3-cresol)
    • 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl]-5-methylphenol
    • UNII-3CA5G9822V
    • Antioxidant 300
    • 4,4-Thiobis(6-t-butyl-m-cresol)
    • 4, 4'-Thiobis(6-tert-butyl-m-cresol)
    • Oprea1_700795
    • SCHEMBL39505
    • BIDD:ER0693
    • orb1737783
    • orb3025080
    • CHEMBL1526319
    • SCHEMBL29366086
    • SCHEMBL31295681
    • MSK3122
    • BP_20
    • GLXC-20928
    • Tox21_201022
    • STL593022
    • AKOS001606677
    • 4,4' thiobis(6-tert-butyl-m cresol)
    • DS-5625
    • CAS-96-69-5
    • 4,4'-thiobis(6-tertiarybutyl-m-cresol)
    • 4,4\'-Thiobis(6-tert-butyl-m-cresol)
    • NCGC00091503-01
    • NCGC00091503-02
    • NCGC00091503-03
    • NCGC00091503-04
    • 96-69-5

  • Applications

    Santonox (CAS 96-69-5) is typically used in fragrance formulations as an odorant and/or fixing agent, helping to preserve the character of the scent while stabilizing volatile notes; in cosmetics and personal care products it may function as a fragrance ingredient in lotions, creams, soaps, and perfumed formulations; in household products such as cleaners and air fresheners it is used to impart a pleasant aroma; in industrial manufacturing and coatings/inks it can serve as a fragrance additive or scent component within polymer, coating, or ink formulations; its use is often subject to regulatory limits and formulation considerations, and it may be evaluated for application in flavor/fragrance blends where permitted.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.86
    methanol 57.94
    isopropanol 151.55
    water 0.03
    ethyl acetate 361.52
    n-propanol 176.87
    acetone 411.19
    n-butanol 180.43
    acetonitrile 123.69
    DMF 1011.07
    toluene 267.86
    isobutanol 149.38
    1,4-dioxane 619.21
    methyl acetate 313.42
    THF 2089.51
    2-butanone 508.08
    n-pentanol 173.98
    sec-butanol 194.74
    n-hexane 43.19
    ethylene glycol 8.61
    NMP 912.75
    cyclohexane 43.28
    DMSO 372.07
    n-butyl acetate 399.0
    n-octanol 143.97
    chloroform 723.51
    n-propyl acetate 286.7
    acetic acid 121.14
    dichloromethane 525.12
    cyclohexanone 778.06
    propylene glycol 50.78
    isopropyl acetate 289.33
    DMAc 833.01
    2-ethoxyethanol 235.46
    isopentanol 156.88
    n-heptane 43.45
    ethyl formate 184.91
    1,2-dichloroethane 356.82
    n-hexanol 236.88
    2-methoxyethanol 291.67
    isobutyl acetate 250.05
    tetrachloromethane 72.11
    n-pentyl acetate 312.85
    transcutol 471.29
    n-heptanol 166.96
    ethylbenzene 153.72
    MIBK 285.06
    2-propoxyethanol 426.45
    tert-butanol 203.57
    MTBE 324.83
    2-butoxyethanol 285.11
    propionic acid 138.03
    o-xylene 132.09
    formic acid 21.65
    diethyl ether 293.22
    m-xylene 182.11
    p-xylene 214.75
    chlorobenzene 299.92
    dimethyl carbonate 174.44
    n-octane 22.61
    formamide 64.53
    cyclopentanone 1271.59
    2-pentanone 455.83
    anisole 302.98
    cyclopentyl methyl ether 709.97
    gamma-butyrolactone 1102.36
    1-methoxy-2-propanol 363.81
    pyridine 565.56
    3-pentanone 341.63
    furfural 571.02
    n-dodecane 13.55
    diethylene glycol 143.02
    diisopropyl ether 116.79
    tert-amyl alcohol 211.41
    acetylacetone 439.8
    n-hexadecane 16.17
    acetophenone 282.33
    methyl propionate 359.99
    isopentyl acetate 370.34
    trichloroethylene 854.86
    n-nonanol 143.55
    cyclohexanol 227.62
    benzyl alcohol 200.25
    2-ethylhexanol 182.44
    isooctanol 146.25
    dipropyl ether 279.92
    1,2-dichlorobenzene 240.49
    ethyl lactate 137.6
    propylene carbonate 541.44
    n-methylformamide 245.85
    2-pentanol 163.53
    n-pentane 31.3
    1-propoxy-2-propanol 372.1
    1-methoxy-2-propyl acetate 423.75
    2-(2-methoxypropoxy) propanol 225.12
    mesitylene 101.62
    ε-caprolactone 658.98
    p-cymene 110.59
    epichlorohydrin 1078.59
    1,1,1-trichloroethane 377.74
    2-aminoethanol 48.58
    morpholine-4-carbaldehyde 797.35
    sulfolane 1061.79
    2,2,4-trimethylpentane 21.81
    2-methyltetrahydrofuran 940.07
    n-hexyl acetate 362.52
    isooctane 18.44
    2-(2-butoxyethoxy)ethanol 294.77
    sec-butyl acetate 228.36
    tert-butyl acetate 368.33
    decalin 33.36
    glycerin 54.73
    diglyme 534.81
    acrylic acid 108.25
    isopropyl myristate 154.28
    n-butyric acid 246.61
    acetyl acetate 183.04
    di(2-ethylhexyl) phthalate 122.9
    ethyl propionate 257.54
    nitromethane 325.91
    1,2-diethoxyethane 331.28
    benzonitrile 232.67
    trioctyl phosphate 103.98
    1-bromopropane 263.04
    gamma-valerolactone 1281.98
    n-decanol 103.18
    triethyl phosphate 133.23
    4-methyl-2-pentanol 110.22
    propionitrile 153.24
    vinylene carbonate 389.56
    1,1,2-trichlorotrifluoroethane 420.88
    DMS 253.15
    cumene 105.11
    2-octanol 142.78
    2-hexanone 329.71
    octyl acetate 192.45
    limonene 157.99
    1,2-dimethoxyethane 490.84
    ethyl orthosilicate 137.87
    tributyl phosphate 116.01
    diacetone alcohol 344.76
    N,N-dimethylaniline 238.83
    acrylonitrile 178.04
    aniline 250.04
    1,3-propanediol 100.67
    bromobenzene 311.5
    dibromomethane 355.12
    1,1,2,2-tetrachloroethane 683.9
    2-methyl-cyclohexyl acetate 262.33
    tetrabutyl urea 174.22
    diisobutyl methanol 100.89
    2-phenylethanol 253.14
    styrene 158.26
    dioctyl adipate 196.56
    dimethyl sulfate 301.18
    ethyl butyrate 286.24
    methyl lactate 164.14
    butyl lactate 227.93
    diethyl carbonate 159.81
    propanediol butyl ether 233.93
    triethyl orthoformate 222.9
    p-tert-butyltoluene 120.7
    methyl 4-tert-butylbenzoate 287.0
    morpholine 855.72
    tert-butylamine 130.63
    n-dodecanol 74.27
    dimethoxymethane 512.26
    ethylene carbonate 327.8
    cyrene 292.04
    2-ethoxyethyl acetate 352.05
    2-ethylhexyl acetate 323.02
    1,2,4-trichlorobenzene 303.15
    4-methylpyridine 627.29
    dibutyl ether 213.43
    2,6-dimethyl-4-heptanol 100.89
    DEF 457.35
    dimethyl isosorbide 516.1
    tetrachloroethylene 302.65
    eugenol 255.75
    triacetin 257.37
    span 80 241.28
    1,4-butanediol 51.68
    1,1-dichloroethane 388.83
    2-methyl-1-pentanol 163.06
    methyl formate 180.39
    2-methyl-1-butanol 165.24
    n-decane 30.34
    butyronitrile 211.07
    3,7-dimethyl-1-octanol 130.9
    1-chlorooctane 132.97
    1-chlorotetradecane 46.68
    n-nonane 28.44
    undecane 19.1
    tert-butylcyclohexane 36.84
    cyclooctane 18.57
    cyclopentanol 321.17
    tetrahydropyran 787.13
    tert-amyl methyl ether 265.37
    2,5,8-trioxanonane 323.94
    1-hexene 154.32
    2-isopropoxyethanol 211.24
    2,2,2-trifluoroethanol 51.92
    methyl butyrate 339.11

    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