(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol

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  • Identifiers

    CAS number
    138077-74-4

    Molecular formula
    C15H26S

    SMILES
    CC(=CCC/C(=C/CC/C(=C/CS)/C)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 73.43%
    Green 55.04%
    Citrus 52.95%
    Floral 52.61%
    Tropical 52.18%
    Sulfurous 46.23%
    Grapefruit 43.31%
    Fresh 37.27%
    Woody 32.48%
    Waxy 32.12%

     

    Flavor
    Floral 60.38%
    Citrus 52.28%
    Sweet 44.31%
    Waxy 38.9%
    Balsam 35.64%
    Woody 35.53%
    Fresh 35.24%
    Flower 34.9%
    Wood 34.38%
    Herbal 32.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    9.54 (weak base)

    Molecular weight
    238.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 116.98 ˚C est.

  • Synonyms

    • 138077-74-4
    • (2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
    • 2,6,10-Dodecatriene-1-thiol, 3,7,11-trimethyl-, (2E,6E)-
    • (E,E)-Farnesyl Thiol
    • starbld0004752
    • SCHEMBL331851
    • (E,E)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-thiol
    • (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-thiol
    • 138077-74-4

  • Applications

    The compound (2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol (CAS 138077-74-4) has practical applications primarily in fragrance chemistry, cosmetics, and industrial manufacturing. In perfumery, it is used as an odorant and may serve as a fragrance fixative to help stabilize and extend scent. In cosmetics and personal care, it may be included as a fragrance ingredient in products such as perfumes, lotions, or sprays. In flavor/aroma applications, the compound is evaluated for contributing to or enhancing aroma profiles in food and beverage formulations. In household products like cleaners and detergents, it can act as a fragrance additive to impart a characteristic scent. In industrial manufacturing, it can function as an intermediate or building block for the synthesis of sulfur-containing aroma compounds and other specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.07
    methanol 28.16
    isopropanol 46.88
    water 0.01
    ethyl acetate 180.09
    n-propanol 60.86
    acetone 92.54
    n-butanol 95.29
    acetonitrile 25.4
    DMF 44.93
    toluene 279.1
    isobutanol 48.97
    1,4-dioxane 449.49
    methyl acetate 85.91
    THF 782.9
    2-butanone 143.31
    n-pentanol 95.88
    sec-butanol 82.67
    n-hexane 224.8
    ethylene glycol 2.39
    NMP 112.17
    cyclohexane 344.42
    DMSO 75.72
    n-butyl acetate 373.41
    n-octanol 98.3
    chloroform 368.69
    n-propyl acetate 166.03
    acetic acid 28.33
    dichloromethane 276.57
    cyclohexanone 294.76
    propylene glycol 9.31
    isopropyl acetate 178.68
    DMAc 116.38
    2-ethoxyethanol 95.84
    isopentanol 100.6
    n-heptane 308.29
    ethyl formate 39.81
    1,2-dichloroethane 197.66
    n-hexanol 211.49
    2-methoxyethanol 81.01
    isobutyl acetate 161.27
    tetrachloromethane 78.1
    n-pentyl acetate 185.57
    transcutol 712.33
    n-heptanol 97.24
    ethylbenzene 174.56
    MIBK 159.63
    2-propoxyethanol 207.0
    tert-butanol 106.9
    MTBE 336.5
    2-butoxyethanol 129.74
    propionic acid 25.61
    o-xylene 157.25
    formic acid 3.5
    diethyl ether 444.31
    m-xylene 176.94
    p-xylene 189.69
    chlorobenzene 149.12
    dimethyl carbonate 23.2
    n-octane 69.27
    formamide 5.24
    cyclopentanone 208.86
    2-pentanone 181.72
    anisole 216.18
    cyclopentyl methyl ether 431.06
    gamma-butyrolactone 124.37
    1-methoxy-2-propanol 90.69
    pyridine 234.34
    3-pentanone 155.43
    furfural 116.71
    n-dodecane 32.11
    diethylene glycol 51.22
    diisopropyl ether 198.98
    tert-amyl alcohol 128.05
    acetylacetone 147.45
    n-hexadecane 38.52
    acetophenone 160.74
    methyl propionate 84.41
    isopentyl acetate 356.35
    trichloroethylene 294.02
    n-nonanol 107.83
    cyclohexanol 141.82
    benzyl alcohol 83.1
    2-ethylhexanol 244.3
    isooctanol 97.71
    dipropyl ether 653.61
    1,2-dichlorobenzene 139.38
    ethyl lactate 42.01
    propylene carbonate 99.48
    n-methylformamide 11.63
    2-pentanol 96.3
    n-pentane 141.56
    1-propoxy-2-propanol 240.84
    1-methoxy-2-propyl acetate 274.1
    2-(2-methoxypropoxy) propanol 198.08
    mesitylene 124.34
    ε-caprolactone 233.69
    p-cymene 154.19
    epichlorohydrin 236.95
    1,1,1-trichloroethane 251.45
    2-aminoethanol 10.65
    morpholine-4-carbaldehyde 162.54
    sulfolane 156.57
    2,2,4-trimethylpentane 63.01
    2-methyltetrahydrofuran 620.53
    n-hexyl acetate 254.97
    isooctane 48.83
    2-(2-butoxyethoxy)ethanol 240.8
    sec-butyl acetate 194.12
    tert-butyl acetate 257.18
    decalin 123.02
    glycerin 11.85
    diglyme 459.56
    acrylic acid 14.87
    isopropyl myristate 143.38
    n-butyric acid 80.41
    acetyl acetate 103.76
    di(2-ethylhexyl) phthalate 91.73
    ethyl propionate 145.06
    nitromethane 34.2
    1,2-diethoxyethane 584.72
    benzonitrile 85.14
    trioctyl phosphate 64.71
    1-bromopropane 286.13
    gamma-valerolactone 228.7
    n-decanol 84.33
    triethyl phosphate 123.42
    4-methyl-2-pentanol 77.25
    propionitrile 43.63
    vinylene carbonate 64.58
    1,1,2-trichlorotrifluoroethane 98.96
    DMS 104.68
    cumene 123.0
    2-octanol 77.09
    2-hexanone 214.2
    octyl acetate 147.96
    limonene 281.35
    1,2-dimethoxyethane 328.04
    ethyl orthosilicate 151.85
    tributyl phosphate 82.48
    diacetone alcohol 152.79
    N,N-dimethylaniline 162.73
    acrylonitrile 26.46
    aniline 113.81
    1,3-propanediol 24.73
    bromobenzene 196.03
    dibromomethane 250.93
    1,1,2,2-tetrachloroethane 305.74
    2-methyl-cyclohexyl acetate 274.72
    tetrabutyl urea 113.33
    diisobutyl methanol 152.46
    2-phenylethanol 149.11
    styrene 184.48
    dioctyl adipate 177.12
    dimethyl sulfate 32.8
    ethyl butyrate 314.71
    methyl lactate 24.12
    butyl lactate 86.94
    diethyl carbonate 154.17
    propanediol butyl ether 77.77
    triethyl orthoformate 269.07
    p-tert-butyltoluene 151.73
    methyl 4-tert-butylbenzoate 161.82
    morpholine 433.45
    tert-butylamine 113.52
    n-dodecanol 70.56
    dimethoxymethane 107.68
    ethylene carbonate 66.5
    cyrene 114.7
    2-ethoxyethyl acetate 227.37
    2-ethylhexyl acetate 354.13
    1,2,4-trichlorobenzene 180.25
    4-methylpyridine 236.26
    dibutyl ether 395.52
    2,6-dimethyl-4-heptanol 152.46
    DEF 160.1
    dimethyl isosorbide 354.95
    tetrachloroethylene 174.66
    eugenol 118.0
    triacetin 173.34
    span 80 184.68
    1,4-butanediol 12.13
    1,1-dichloroethane 187.12
    2-methyl-1-pentanol 119.22
    methyl formate 9.85
    2-methyl-1-butanol 93.88
    n-decane 68.62
    butyronitrile 83.59
    3,7-dimethyl-1-octanol 139.09
    1-chlorooctane 157.31
    1-chlorotetradecane 67.37
    n-nonane 74.7
    undecane 43.99
    tert-butylcyclohexane 107.29
    cyclooctane 141.85
    cyclopentanol 87.75
    tetrahydropyran 764.58
    tert-amyl methyl ether 295.95
    2,5,8-trioxanonane 325.41
    1-hexene 345.14
    2-isopropoxyethanol 105.23
    2,2,2-trifluoroethanol 6.14
    methyl butyrate 158.95

    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