2-Methyl-4,6-bis[(octylthio)methyl]phenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    110553-27-0

    Molecular formula
    C25H44OS2

    SMILES
    CCCCCCCCSCC1=CC(=C(C(=C1)C)O)CSCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Meaty 58.96%
    Sulfurous 56.2%
    Fruity 50.1%
    Roasted 47.69%
    Savory 41.73%
    Fatty 40.38%
    Burnt 39.52%
    Tropical 34.44%
    Cooked 30.24%
    Floral 29.87%

     

    Flavor
    Mild 24.55%
    Bland 24.04%
    Herbal 23.53%
    Slightly waxy 21.23%
    Delicate 21.14%
    Violet-leaf 21.13%
    Skunky 21.05%
    Syrup 21.02%
    Tomato leaf 20.76%
    Creosote 20.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    8.59 (weak base)

    Molecular weight
    424.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    694°C

    Flash point

    • 231.76 ˚C est.

  • Synonyms

    • 110553-27-0
    • 2-methyl-4,6-bis((octylthio)methyl)phenol
    • 4,6-Bis(octylthiomethyl)-o-cresol
    • Irganox 1520
    • Phenol, 2-methyl-4,6-bis[(octylthio)methyl]-
    • 2-methyl-4,6-bis[(octylthio)methyl]phenol
    • UNII-C73V7OV6Q3
    • C73V7OV6Q3
    • 2,4-bis(octylthiomethyl)-6-methylphenol
    • DTXSID6044199
    • Phenol, 2-methyl-4,6-bis((octylthio)methyl)-
    • DTXCID4024199
    • 2,4-dioctylthiomethyl-6-methylphenol
    • 402-860-6
    • RefChem:88111
    • 2-methyl-4,6-bis(octylsulfanylmethyl)phenol
    • Antioxidant TH1520
    • ANTIOXIDANT 1520
    • MFCD00134699
    • 2-METHYL-4,6-BIS[(OCTYLSULFANYL)METHYL]PHENOL
    • 2-Methyl-4,6-bis[(n-octylthio)methyl]phenol
    • C25H44OS2
    • SCHEMBL34981
    • orb3027421
    • CHEMBL3560804
    • SCHEMBL29370365
    • GAODDBNJCKQQDY-UHFFFAOYSA-N
    • Tox21_304010
    • MSK161944
    • AKOS025311595
    • FB33912
    • MSK161944-100H
    • NCGC00356956-01
    • AS-13669
    • 2-methyl-4,6-bis-(octylthiomethyl)phenol
    • CAS-110553-27-0
    • CS-0435355
    • M3227
    • NS00001630
    • Irganox 1520 Solution in Hexane, 100ug/mL
    • D97734
    • 553M270
    • Q27275272
    • 110553-27-0

  • Applications

    2-Methyl-4,6-bis[(octylthio)methyl]phenol (CAS 110553-27-0) is used primarily as a hindered phenolic antioxidant and processing stabilizer in polymers and elastomers, helping to retard oxidation and heat-induced degradation in polyolefins, engineering plastics, and rubbers. It is also employed as an antioxidant additive in lubricants and hydraulic fluids to improve shelf life and performance under thermal stress. In coatings and inks, it serves as a stabilizer to reduce color fading and film degradation during cure and service. It can be used in adhesive formulations to enhance aging resistance of bonded assemblies. Additionally, this class of compounds may be evaluated as intermediates in the synthesis of sulfur-containing antioxidants for specialty plastic and rubber applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 557.13
    methanol 369.4
    isopropanol 477.28
    water 0.1
    ethyl acetate 2007.43
    n-propanol 559.28
    acetone 2331.72
    n-butanol 597.98
    acetonitrile 330.15
    DMF 2234.96
    toluene 673.06
    isobutanol 437.34
    1,4-dioxane 1866.01
    methyl acetate 1170.15
    THF 4356.55
    2-butanone 1854.09
    n-pentanol 386.37
    sec-butanol 483.39
    n-hexane 65.78
    ethylene glycol 14.88
    NMP 2611.52
    cyclohexane 392.57
    DMSO 1685.21
    n-butyl acetate 1645.1
    n-octanol 301.65
    chloroform 3047.85
    n-propyl acetate 1721.39
    acetic acid 562.9
    dichloromethane 3287.86
    cyclohexanone 4018.08
    propylene glycol 58.71
    isopropyl acetate 1710.1
    DMAc 2587.21
    2-ethoxyethanol 879.31
    isopentanol 593.35
    n-heptane 83.29
    ethyl formate 814.53
    1,2-dichloroethane 2628.72
    n-hexanol 289.18
    2-methoxyethanol 1145.43
    isobutyl acetate 1100.46
    tetrachloromethane 705.26
    n-pentyl acetate 2078.48
    transcutol 3648.51
    n-heptanol 319.2
    ethylbenzene 283.49
    MIBK 1259.32
    2-propoxyethanol 751.0
    tert-butanol 624.57
    MTBE 1490.29
    2-butoxyethanol 885.93
    propionic acid 527.55
    o-xylene 390.45
    formic acid 77.74
    diethyl ether 1379.73
    m-xylene 389.81
    p-xylene 395.55
    chlorobenzene 1116.54
    dimethyl carbonate 477.58
    n-octane 41.08
    formamide 230.06
    cyclopentanone 3738.03
    2-pentanone 2029.4
    anisole 810.18
    cyclopentyl methyl ether 2004.43
    gamma-butyrolactone 3263.59
    1-methoxy-2-propanol 1055.89
    pyridine 1867.43
    3-pentanone 1372.09
    furfural 1944.29
    n-dodecane 20.38
    diethylene glycol 241.99
    diisopropyl ether 451.82
    tert-amyl alcohol 613.61
    acetylacetone 2368.88
    n-hexadecane 25.79
    acetophenone 967.3
    methyl propionate 1259.99
    isopentyl acetate 1479.9
    trichloroethylene 4362.33
    n-nonanol 300.21
    cyclohexanol 894.33
    benzyl alcohol 458.13
    2-ethylhexanol 309.43
    isooctanol 343.42
    dipropyl ether 935.65
    1,2-dichlorobenzene 1094.67
    ethyl lactate 416.05
    propylene carbonate 1862.27
    n-methylformamide 742.22
    2-pentanol 438.77
    n-pentane 69.28
    1-propoxy-2-propanol 826.85
    1-methoxy-2-propyl acetate 1525.71
    2-(2-methoxypropoxy) propanol 522.17
    mesitylene 259.17
    ε-caprolactone 3059.75
    p-cymene 220.01
    epichlorohydrin 3682.2
    1,1,1-trichloroethane 2871.66
    2-aminoethanol 94.08
    morpholine-4-carbaldehyde 2263.95
    sulfolane 3661.97
    2,2,4-trimethylpentane 59.87
    2-methyltetrahydrofuran 2697.07
    n-hexyl acetate 1503.68
    isooctane 39.96
    2-(2-butoxyethoxy)ethanol 941.97
    sec-butyl acetate 1227.4
    tert-butyl acetate 2095.82
    decalin 95.23
    glycerin 90.5
    diglyme 2703.87
    acrylic acid 301.28
    isopropyl myristate 401.57
    n-butyric acid 1486.79
    acetyl acetate 1112.22
    di(2-ethylhexyl) phthalate 283.01
    ethyl propionate 1259.47
    nitromethane 1560.36
    1,2-diethoxyethane 2055.07
    benzonitrile 657.95
    trioctyl phosphate 225.56
    1-bromopropane 1306.65
    gamma-valerolactone 5215.99
    n-decanol 176.05
    triethyl phosphate 443.69
    4-methyl-2-pentanol 286.17
    propionitrile 428.44
    vinylene carbonate 1396.53
    1,1,2-trichlorotrifluoroethane 1826.41
    DMS 784.93
    cumene 187.83
    2-octanol 301.9
    2-hexanone 1355.44
    octyl acetate 513.03
    limonene 441.38
    1,2-dimethoxyethane 2147.7
    ethyl orthosilicate 493.62
    tributyl phosphate 312.82
    diacetone alcohol 1371.92
    N,N-dimethylaniline 490.87
    acrylonitrile 419.71
    aniline 647.98
    1,3-propanediol 317.95
    bromobenzene 1285.15
    dibromomethane 1935.13
    1,1,2,2-tetrachloroethane 3666.07
    2-methyl-cyclohexyl acetate 854.4
    tetrabutyl urea 485.93
    diisobutyl methanol 241.63
    2-phenylethanol 397.73
    styrene 409.86
    dioctyl adipate 620.81
    dimethyl sulfate 887.52
    ethyl butyrate 1451.07
    methyl lactate 376.49
    butyl lactate 974.17
    diethyl carbonate 673.9
    propanediol butyl ether 571.19
    triethyl orthoformate 976.0
    p-tert-butyltoluene 219.48
    methyl 4-tert-butylbenzoate 900.08
    morpholine 2553.25
    tert-butylamine 373.63
    n-dodecanol 118.15
    dimethoxymethane 1735.71
    ethylene carbonate 1516.52
    cyrene 562.41
    2-ethoxyethyl acetate 2292.09
    2-ethylhexyl acetate 1205.84
    1,2,4-trichlorobenzene 1241.05
    4-methylpyridine 1848.36
    dibutyl ether 876.12
    2,6-dimethyl-4-heptanol 241.63
    DEF 2237.91
    dimethyl isosorbide 1282.41
    tetrachloroethylene 2279.83
    eugenol 656.25
    triacetin 1335.88
    span 80 535.2
    1,4-butanediol 102.92
    1,1-dichloroethane 2269.81
    2-methyl-1-pentanol 411.45
    methyl formate 525.15
    2-methyl-1-butanol 521.65
    n-decane 52.25
    butyronitrile 694.15
    3,7-dimethyl-1-octanol 320.76
    1-chlorooctane 320.04
    1-chlorotetradecane 82.87
    n-nonane 50.14
    undecane 29.77
    tert-butylcyclohexane 75.53
    cyclooctane 83.24
    cyclopentanol 767.47
    tetrahydropyran 3147.4
    tert-amyl methyl ether 977.11
    2,5,8-trioxanonane 1101.57
    1-hexene 281.83
    2-isopropoxyethanol 697.68
    2,2,2-trifluoroethanol 258.8
    methyl butyrate 1787.62

    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