Sulfoxide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    120-62-7

    Molecular formula
    C18H28O3S

    SMILES
    CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2

  • Odor profile

    Fragrance
    Meaty 40.94%
    Citrus 36.53%
    Fatty 33.59%
    Floral 32.85%
    Fresh 32.16%
    Roasted 31.91%
    Savory 31.04%
    Grapefruit 29.66%
    Waxy 29.28%
    Fruity 28.82%

     

    Flavor
    Herbal 39.04%
    Bland 25.92%
    Mild 23.55%
    Warm 20.82%
    Woody 20.46%
    Lovage 20.42%
    Spice 20.31%
    Cedarleaf 20.11%
    Parsley 20.1%
    Green pepper 19.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.2 (weak base)

    Molecular weight
    324.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    459°C

    Flash point

    • 194.32 ˚C est.
    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • less than 0.1 mg/mL at 72 °F (NTP, 1992)
    • PRACTICALLY INSOL IN WATER; SOL IN MOST ORGANIC SOLVENTS EXCEPT PETROLEUM ETHER
    • Insoluble in water.

  • Synonyms

    • Sulfoxide
    • PIPERONYL SULFOXIDE
    • Sulfoxyl
    • Sulphoxide
    • Sulfox-cide
    • 120-62-7
    • Sulfocide
    • Isosafrole n-octylsulfoxide
    • n-Octylisosafrole sulfoxide
    • n-Octylsulfoxide of isosafrole
    • Isosafrole octyl sulfoxide
    • Isosafrole, octyl sulfoxide
    • Sulfoxide (synergist)
    • Caswell No. 615
    • Isofrol-n-octyl sulfoxide
    • Piperonyl sulfoxide (insecticide)
    • Piperonyl sulfoxide (VAN)
    • NCI-C02824
    • CCRIS 523
    • n-Octyl sulfoxide of isosafrole
    • ENT 16,634
    • HSDB 1746
    • UNII-WOR3CS513R
    • NSC 8400
    • 5-(2-octylsulfinylpropyl)-1,3-benzodioxole
    • EINECS 204-412-3
    • 5-[2-(Octylsulfinyl)propyl]-1,3-benzodioxole
    • 1-Methyl-2-(3,4-methylenedioxyphenyl)ethyl octyl sulfoxide
    • EPA Pesticide Chemical Code 057101
    • 1,3-Benzodioxole, 5-[2-(octylsulfinyl)propyl]-
    • DTXSID1021168
    • AI3-16634
    • SULFOXIDE [MI]
    • 5-(2-(Octylsulfinyl)propyl)-1,3-benzodioxole
    • 2-(1,3-Benzodioxol-5-yl)ethyl octyl sulfoxide
    • 1,3-Benzodioxole, 5-(2-(octylsulfinyl)propyl)-
    • WOR3CS513R
    • 1,2-(Methylenedioxy)-4-(2-(octylsulfinyl)propyl)benzene
    • DTXCID301168
    • Benzene, 1,2-(methylenedioxy)-4-(2-(octylsulfinyl)propyl)-
    • CHEBI:82267
    • NSC-8400
    • 1-(2,3-Methylendioxyfenyl)-2-(oktylsufinyl)propan
    • 1,2-(Methylenedioxy)-4-[2-(octylsulfinyl)propyl]benzene
    • 1,2-Methoxylenedioxy-4-(2-(octylsulfinyl)propyl)-benzene
    • 1,2-Methoxylenedioxy-4-[2-(octylsulfinyl)propyl]benzene
    • 1,2-Methylenedioxy-4-(2-(octylsulfinyl)propyl)benzene
    • Sulfoxide, .alpha.-methyl-3,4-(methylenedioxy)phenethyl octyl
    • 1,2-Methoxylenedioxy-4-(2-(octylsulfinyl)propyl)benzene
    • 1,2-Methylenedioxy-4-[2-(octylsulfinyl)propyl]benzene
    • 5-(2-(Octane-1-sulphinyl)propyl)-2H-1,3-benzodioxole
    • 5-[2-(Octane-1-sulphinyl)propyl]-2H-1,3-benzodioxole
    • 1,2-Methoxylenedioxy-4-[2-(octylsulfinyl)propyl]-benzene
    • Piperonyl sulfoxide (insecticide) (VAN)
    • Sulfoxcide
    • Benzene, 1,2-(methylenedioxy)-4-[2-(octylsulfinyl)propyl]-
    • S-oxides
    • 1-(3,4-Methylenedioxyphenyl)isopropyl octyl sulphoxide
    • Isofrolnoctyl sulfoxide
    • 1-(2,3-Methylendioxyfenyl)-2-(oktylsufinyl)propan [Czech]
    • Sulfoxide, alpha-methyl-3,4-(methylenedioxy)phenethyl octyl
    • Isosafrole noctylsulfoxide
    • nOctylisosafrole sulfoxide
    • SCHEMBL2716
    • nOctylsulfoxide of isosafrole
    • nOctyl sulfoxide of isosafrole
    • CHEMBL3184866
    • CHEBI:22063
    • alpha-methyl-3,4-(methylenedioxy)phenethyl octyl sulfoxide
    • NSC8400
    • 1, 5-[2-(octylsulfinyl)propyl]-
    • Tox21_200395
    • NCGC00248590-01
    • NCGC00257949-01
    • 5(2(Octylsulfinyl)propyl)1,3benzodioxole
    • CAS-120-62-7
    • Sulfoxide,4-(methylenedioxy)phenethyl octyl
    • 1,3Benzodioxole, 5(2(octylsulfinyl)propyl)
    • NS00021566
    • 1(2,3Methylendioxyfenyl)2(oktylsufinyl)propan
    • C19147
    • WLN: T56 BO DO CHJ G1Y1 & SO & 8
    • 1,2(Methylenedioxy)4(2(octylsulfinyl)propyl)benzene
    • 1,2Methoxylenedioxy4(2(octylsulfinyl)propyl)benzene
    • 1Methyl2(3,4methylenedioxyphenyl)ethyl octyl sulfoxide
    • Q27155850
    • Benzene, 1,2(methylenedioxy)4(2(octylsulfinyl)propyl)
    • Sulfoxide, alphamethyl3,4(methylenedioxy)phenethyl octyl
    • 2-(1,3-Benzodioxol-5-yl)-1-methylethyl octyl sulfoxide #
    • Benzene,2-(methylenedioxy)-4-[2-(octylsulfinyl)propyl]-
    • 1,2-METHOXYLENEDIOXY-4-(2-(OCTYLSULFINYL)PROPYL)-BENZENE [HSDB]
    • 204-412-3

  • Applications

    Sulfoxide, CAS 120-62-7, is primarily used as a polar aprotic solvent and reaction medium in organic synthesis, and also serves as an intermediate in the production of sulfoxide- or sulfone-containing compounds. It is commonly employed as a solvent in pharmaceutical and cosmetic formulations, and functions as a cleaning and surface-treatment solvent in electronics and industrial cleaning. Additionally, sulfoxide can be used as a solvent or processing aid for polymers and coatings in the polymer and coatings industries. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1075.47
    methanol 1316.05
    isopropanol 633.96
    water 0.91
    ethyl acetate 967.98
    n-propanol 725.41
    acetone 1188.31
    n-butanol 507.97
    acetonitrile 858.13
    DMF 1078.7
    toluene 137.64
    isobutanol 438.2
    1,4-dioxane 1165.42
    methyl acetate 826.89
    THF 1135.48
    2-butanone 744.6
    n-pentanol 313.69
    sec-butanol 428.66
    n-hexane 3.35
    ethylene glycol 142.51
    NMP 459.01
    cyclohexane 22.0
    DMSO 931.98
    n-butyl acetate 412.59
    n-octanol 105.69
    chloroform 1927.83
    n-propyl acetate 556.83
    acetic acid 806.45
    dichloromethane 1816.8
    cyclohexanone 933.56
    propylene glycol 231.05
    isopropyl acetate 522.16
    DMAc 824.3
    2-ethoxyethanol 836.52
    isopentanol 378.91
    n-heptane 4.15
    ethyl formate 622.2
    1,2-dichloroethane 1135.36
    n-hexanol 201.88
    2-methoxyethanol 1251.09
    isobutyl acetate 347.65
    tetrachloromethane 146.15
    n-pentyl acetate 315.71
    transcutol 2166.24
    n-heptanol 112.33
    ethylbenzene 68.77
    MIBK 345.14
    2-propoxyethanol 553.02
    tert-butanol 464.48
    MTBE 404.11
    2-butoxyethanol 346.23
    propionic acid 481.71
    o-xylene 88.85
    formic acid 353.89
    diethyl ether 448.8
    m-xylene 96.06
    p-xylene 94.12
    chlorobenzene 333.77
    dimethyl carbonate 278.05
    n-octane 4.35
    formamide 725.0
    cyclopentanone 831.08
    2-pentanone 599.82
    anisole 255.81
    cyclopentyl methyl ether 345.04
    gamma-butyrolactone 955.83
    1-methoxy-2-propanol 801.8
    pyridine 658.99
    3-pentanone 367.84
    furfural 805.52
    n-dodecane 5.64
    diethylene glycol 512.07
    diisopropyl ether 86.4
    tert-amyl alcohol 340.34
    acetylacetone 765.46
    n-hexadecane 6.51
    acetophenone 282.22
    methyl propionate 566.48
    isopentyl acetate 353.21
    trichloroethylene 1880.42
    n-nonanol 97.65
    cyclohexanol 343.06
    benzyl alcohol 254.16
    2-ethylhexanol 107.07
    isooctanol 101.43
    dipropyl ether 98.74
    1,2-dichlorobenzene 331.04
    ethyl lactate 239.31
    propylene carbonate 601.48
    n-methylformamide 765.06
    2-pentanol 252.07
    n-pentane 5.04
    1-propoxy-2-propanol 340.23
    1-methoxy-2-propyl acetate 450.54
    2-(2-methoxypropoxy) propanol 283.08
    mesitylene 58.81
    ε-caprolactone 819.08
    p-cymene 52.89
    epichlorohydrin 1434.24
    1,1,1-trichloroethane 675.35
    2-aminoethanol 356.96
    morpholine-4-carbaldehyde 817.64
    sulfolane 728.52
    2,2,4-trimethylpentane 7.08
    2-methyltetrahydrofuran 682.28
    n-hexyl acetate 318.59
    isooctane 5.66
    2-(2-butoxyethoxy)ethanol 465.18
    sec-butyl acetate 336.88
    tert-butyl acetate 409.75
    decalin 10.28
    glycerin 324.8
    diglyme 957.11
    acrylic acid 378.15
    isopropyl myristate 98.27
    n-butyric acid 806.66
    acetyl acetate 511.65
    di(2-ethylhexyl) phthalate 116.04
    ethyl propionate 348.23
    nitromethane 1649.16
    1,2-diethoxyethane 574.44
    benzonitrile 371.23
    trioctyl phosphate 79.74
    1-bromopropane 386.57
    gamma-valerolactone 1291.47
    n-decanol 68.54
    triethyl phosphate 117.74
    4-methyl-2-pentanol 137.93
    propionitrile 519.72
    vinylene carbonate 620.48
    1,1,2-trichlorotrifluoroethane 785.54
    DMS 322.28
    cumene 49.34
    2-octanol 82.74
    2-hexanone 371.89
    octyl acetate 128.35
    limonene 69.81
    1,2-dimethoxyethane 954.67
    ethyl orthosilicate 114.84
    tributyl phosphate 108.07
    diacetone alcohol 423.98
    N,N-dimethylaniline 130.82
    acrylonitrile 609.86
    aniline 257.67
    1,3-propanediol 605.72
    bromobenzene 330.16
    dibromomethane 949.53
    1,1,2,2-tetrachloroethane 1368.5
    2-methyl-cyclohexyl acetate 203.97
    tetrabutyl urea 133.14
    diisobutyl methanol 65.96
    2-phenylethanol 236.02
    styrene 95.7
    dioctyl adipate 153.26
    dimethyl sulfate 334.9
    ethyl butyrate 240.3
    methyl lactate 298.14
    butyl lactate 261.86
    diethyl carbonate 184.2
    propanediol butyl ether 332.44
    triethyl orthoformate 175.09
    p-tert-butyltoluene 48.48
    methyl 4-tert-butylbenzoate 212.65
    morpholine 1375.49
    tert-butylamine 192.72
    n-dodecanol 51.57
    dimethoxymethane 805.88
    ethylene carbonate 622.13
    cyrene 262.19
    2-ethoxyethyl acetate 571.53
    2-ethylhexyl acetate 259.82
    1,2,4-trichlorobenzene 353.43
    4-methylpyridine 531.73
    dibutyl ether 133.9
    2,6-dimethyl-4-heptanol 65.96
    DEF 590.6
    dimethyl isosorbide 426.58
    tetrachloroethylene 775.4
    eugenol 249.11
    triacetin 380.48
    span 80 224.91
    1,4-butanediol 261.38
    1,1-dichloroethane 1005.82
    2-methyl-1-pentanol 242.58
    methyl formate 563.2
    2-methyl-1-butanol 343.49
    n-decane 9.22
    butyronitrile 545.2
    3,7-dimethyl-1-octanol 111.54
    1-chlorooctane 61.78
    1-chlorotetradecane 23.25
    n-nonane 7.4
    undecane 6.78
    tert-butylcyclohexane 8.3
    cyclooctane 5.7
    cyclopentanol 345.52
    tetrahydropyran 855.2
    tert-amyl methyl ether 209.62
    2,5,8-trioxanonane 536.08
    1-hexene 33.25
    2-isopropoxyethanol 501.85
    2,2,2-trifluoroethanol 376.4
    methyl butyrate 520.55

    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