3,7-Dimethylocta-2,6-diene-1-thiol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    38237-00-2

    Molecular formula
    C10H18S

    SMILES
    CC(=CCCC(=CCS)C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.29%
    Sulfurous 69.08%
    Tropical 62.64%
    Green 58.81%
    Citrus 58.77%
    Grapefruit 56.03%
    Black currant 42.23%
    Meaty 40.14%
    Floral 36.07%
    Fresh 35.73%

     

    Flavor
    Floral 56.37%
    Citrus 52.39%
    Sweet 46.73%
    Green 38.53%
    Woody 38.21%
    Herbal 35.66%
    Spicy 34.61%
    Flower 32.45%
    Waxy 30.94%
    Lemon 30.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.67 (weak base)

    Molecular weight
    170.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    222°C

    Flash point

    • 79.25 ˚C est.

  • Synonyms

    • 2,6-Octadiene-1-thiol, 3,7-dimethyl-
    • 3,7-Dimethylocta-2,6-diene-1-thiol
    • 38237-00-2
    • DTXSID9068081
    • FACAUSJJVBMWLV-UHFFFAOYSA-N
    • 3,7-dimethylocta-2,6-dienylmercaptan
    • DB-262006
    • NS00020084
    • 253-845-4

  • Applications

    3,7-Dimethylocta-2,6-diene-1-thiol, CAS 38237-00-2, is a compound considered for fragrance and odor applications in the perfumery and flavor formulation sectors; it may also be used in cosmetics/personal care as a scent ingredient or fragrance fixative; at a conservative level, it can serve as an intermediate in organic synthesis and be involved in industrial manufacturing processes as an odor-modulating additive or a component in coatings and adhesives; its use and limits depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.92
    methanol 176.56
    isopropanol 236.85
    water 0.06
    ethyl acetate 323.83
    n-propanol 251.96
    acetone 346.85
    n-butanol 342.01
    acetonitrile 134.76
    DMF 172.57
    toluene 375.28
    isobutanol 182.28
    1,4-dioxane 915.1
    methyl acetate 214.14
    THF 1496.28
    2-butanone 353.33
    n-pentanol 258.83
    sec-butanol 285.96
    n-hexane 396.17
    ethylene glycol 24.51
    NMP 254.53
    cyclohexane 620.72
    DMSO 237.57
    n-butyl acetate 586.55
    n-octanol 253.14
    chloroform 711.93
    n-propyl acetate 261.44
    acetic acid 131.7
    dichloromethane 495.15
    cyclohexanone 586.2
    propylene glycol 61.77
    isopropyl acetate 243.91
    DMAc 211.87
    2-ethoxyethanol 237.44
    isopentanol 289.27
    n-heptane 583.34
    ethyl formate 115.5
    1,2-dichloroethane 340.82
    n-hexanol 657.34
    2-methoxyethanol 279.55
    isobutyl acetate 211.16
    tetrachloromethane 167.52
    n-pentyl acetate 257.51
    transcutol 1029.17
    n-heptanol 256.43
    ethylbenzene 190.89
    MIBK 239.64
    2-propoxyethanol 515.51
    tert-butanol 386.67
    MTBE 552.38
    2-butoxyethanol 278.74
    propionic acid 104.51
    o-xylene 197.46
    formic acid 19.25
    diethyl ether 803.96
    m-xylene 224.5
    p-xylene 219.87
    chlorobenzene 245.58
    dimethyl carbonate 56.07
    n-octane 128.28
    formamide 27.91
    cyclopentanone 470.82
    2-pentanone 382.66
    anisole 258.41
    cyclopentyl methyl ether 716.33
    gamma-butyrolactone 308.74
    1-methoxy-2-propanol 270.94
    pyridine 459.86
    3-pentanone 269.9
    furfural 253.49
    n-dodecane 60.28
    diethylene glycol 177.44
    diisopropyl ether 262.97
    tert-amyl alcohol 341.94
    acetylacetone 261.3
    n-hexadecane 69.86
    acetophenone 189.87
    methyl propionate 173.82
    isopentyl acetate 461.9
    trichloroethylene 496.59
    n-nonanol 238.21
    cyclohexanol 399.22
    benzyl alcohol 156.88
    2-ethylhexanol 484.2
    isooctanol 198.3
    dipropyl ether 884.73
    1,2-dichlorobenzene 188.77
    ethyl lactate 85.97
    propylene carbonate 203.03
    n-methylformamide 57.37
    2-pentanol 288.23
    n-pentane 331.16
    1-propoxy-2-propanol 506.62
    1-methoxy-2-propyl acetate 361.57
    2-(2-methoxypropoxy) propanol 285.05
    mesitylene 151.11
    ε-caprolactone 402.98
    p-cymene 186.8
    epichlorohydrin 451.16
    1,1,1-trichloroethane 410.02
    2-aminoethanol 73.09
    morpholine-4-carbaldehyde 335.74
    sulfolane 338.25
    2,2,4-trimethylpentane 101.96
    2-methyltetrahydrofuran 1078.91
    n-hexyl acetate 368.65
    isooctane 79.46
    2-(2-butoxyethoxy)ethanol 395.13
    sec-butyl acetate 211.77
    tert-butyl acetate 311.65
    decalin 153.16
    glycerin 64.43
    diglyme 665.03
    acrylic acid 67.8
    isopropyl myristate 181.04
    n-butyric acid 231.28
    acetyl acetate 177.85
    di(2-ethylhexyl) phthalate 134.17
    ethyl propionate 191.15
    nitromethane 138.54
    1,2-diethoxyethane 675.89
    benzonitrile 190.78
    trioctyl phosphate 107.14
    1-bromopropane 480.97
    gamma-valerolactone 451.98
    n-decanol 175.83
    triethyl phosphate 143.67
    4-methyl-2-pentanol 169.07
    propionitrile 162.82
    vinylene carbonate 141.43
    1,1,2-trichlorotrifluoroethane 242.27
    DMS 162.1
    cumene 127.33
    2-octanol 174.37
    2-hexanone 341.44
    octyl acetate 209.51
    limonene 364.26
    1,2-dimethoxyethane 556.9
    ethyl orthosilicate 168.13
    tributyl phosphate 128.2
    diacetone alcohol 254.67
    N,N-dimethylaniline 179.62
    acrylonitrile 105.69
    aniline 231.96
    1,3-propanediol 116.38
    bromobenzene 288.19
    dibromomethane 467.09
    1,1,2,2-tetrachloroethane 488.33
    2-methyl-cyclohexyl acetate 301.87
    tetrabutyl urea 163.91
    diisobutyl methanol 250.86
    2-phenylethanol 260.82
    styrene 220.25
    dioctyl adipate 208.04
    dimethyl sulfate 68.31
    ethyl butyrate 376.97
    methyl lactate 69.04
    butyl lactate 156.46
    diethyl carbonate 196.98
    propanediol butyl ether 214.77
    triethyl orthoformate 298.13
    p-tert-butyltoluene 191.65
    methyl 4-tert-butylbenzoate 195.71
    morpholine 901.91
    tert-butylamine 337.67
    n-dodecanol 140.74
    dimethoxymethane 249.26
    ethylene carbonate 146.93
    cyrene 190.73
    2-ethoxyethyl acetate 287.09
    2-ethylhexyl acetate 432.3
    1,2,4-trichlorobenzene 252.28
    4-methylpyridine 424.39
    dibutyl ether 513.49
    2,6-dimethyl-4-heptanol 250.86
    DEF 273.04
    dimethyl isosorbide 435.32
    tetrachloroethylene 322.08
    eugenol 178.69
    triacetin 242.08
    span 80 310.84
    1,4-butanediol 53.94
    1,1-dichloroethane 385.44
    2-methyl-1-pentanol 237.79
    methyl formate 46.71
    2-methyl-1-butanol 256.14
    n-decane 123.46
    butyronitrile 266.6
    3,7-dimethyl-1-octanol 266.42
    1-chlorooctane 246.45
    1-chlorotetradecane 105.71
    n-nonane 141.86
    undecane 81.49
    tert-butylcyclohexane 132.98
    cyclooctane 234.03
    cyclopentanol 292.07
    tetrahydropyran 1383.48
    tert-amyl methyl ether 421.28
    2,5,8-trioxanonane 446.71
    1-hexene 573.77
    2-isopropoxyethanol 227.02
    2,2,2-trifluoroethanol 29.12
    methyl butyrate 242.16

    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