7-(Methylthio)heptanenitrile

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  • Identifiers

    CAS number
    75272-78-5

    Molecular formula
    C8H15NS

    SMILES
    CSCCCCCCC#N

    Safety labels

  • Odor profile

    Fragrance
    Citrus 46.9%
    Fatty 46.59%
    Floral 43.87%
    Meaty 41.36%
    Sweet 38.26%
    Fresh 37.67%
    Metallic 34.49%
    Waxy 31.9%
    Green 30.92%
    Fruity 30.33%

     

    Flavor
    Sulfurous 29.57%
    Skunky 21.31%
    Radish 21.22%
    Glue 20.9%
    Violet-leaf 20.85%
    Greasy 20.65%
    Bloody 20.65%
    Onion 20.55%
    Meaty 20.26%
    Sulfury 20.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.3 (neutral)

    Molecular weight
    157.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    277°C

    Flash point

    • 112.98 ˚C est.

  • Synonyms

    • 7-(Methylthio)heptanenitrile
    • 7-Methylthioheptanenitrile
    • Heptanenitrile, 7-(methylthio)-
    • 75272-78-5
    • 7-(METHYLSULFANYL)HEPTANENITRILE
    • 7-methylsulanylheptanenitrile
    • DTXSID90415760
    • CHEBI:187267
    • MAMGGQVRQMBXMB-UHFFFAOYSA-N
    • Q63409592
    • 75272-78-5

  • Applications

    Chemical name: 7-(Methylthio)heptanenitrile. CAS number: 75272-78-5. 7-(Methylthio)heptanenitrile is primarily used as an organic synthesis intermediate, providing both a nitrile group and a thioether moiety to enable downstream transformations. In practice, it is commonly evaluated as a building block for sulfur-containing compounds in pharmaceutical and agrochemical development; as a precursor for specialty polymers and for coatings and inks; and as a starting point for research and development in materials science and electronics where nitrile/thioether functionalities are explored for functional materials. It may also serve as a versatile intermediate in process chemistry for broader industrial intermediate synthesis, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3678.02
    methanol 4073.98
    isopropanol 2727.58
    water 0.59
    ethyl acetate 5143.06
    n-propanol 2768.55
    acetone 17365.26
    n-butanol 2108.51
    acetonitrile 5556.12
    DMF 8196.15
    toluene 2291.61
    isobutanol 1758.27
    1,4-dioxane 7062.23
    methyl acetate 4250.12
    THF 10864.31
    2-butanone 6743.16
    n-pentanol 1433.6
    sec-butanol 1759.15
    n-hexane 587.68
    ethylene glycol 708.58
    NMP 6042.57
    cyclohexane 2082.9
    DMSO 17373.93
    n-butyl acetate 4030.79
    n-octanol 707.91
    chloroform 8263.05
    n-propyl acetate 2962.71
    acetic acid 4370.71
    dichloromethane 8118.41
    cyclohexanone 10923.6
    propylene glycol 891.58
    isopropyl acetate 2593.38
    DMAc 3834.79
    2-ethoxyethanol 1957.21
    isopentanol 1386.91
    n-heptane 559.98
    ethyl formate 2752.58
    1,2-dichloroethane 6473.27
    n-hexanol 1668.42
    2-methoxyethanol 3474.95
    isobutyl acetate 1470.61
    tetrachloromethane 1698.99
    n-pentyl acetate 1874.62
    transcutol 7496.82
    n-heptanol 626.6
    ethylbenzene 759.5
    MIBK 1907.79
    2-propoxyethanol 2226.59
    tert-butanol 2583.95
    MTBE 2258.41
    2-butoxyethanol 1169.77
    propionic acid 2956.08
    o-xylene 932.83
    formic acid 1035.42
    diethyl ether 4167.94
    m-xylene 1061.96
    p-xylene 1077.33
    chlorobenzene 3403.62
    dimethyl carbonate 1225.55
    n-octane 160.53
    formamide 2047.25
    cyclopentanone 11958.04
    2-pentanone 5462.75
    anisole 1573.5
    cyclopentyl methyl ether 4500.59
    gamma-butyrolactone 9336.53
    1-methoxy-2-propanol 2472.31
    pyridine 7538.34
    3-pentanone 3795.13
    furfural 6101.12
    n-dodecane 79.66
    diethylene glycol 1561.89
    diisopropyl ether 993.9
    tert-amyl alcohol 1473.54
    acetylacetone 6413.9
    n-hexadecane 99.77
    acetophenone 1578.61
    methyl propionate 3412.62
    isopentyl acetate 2397.27
    trichloroethylene 10478.73
    n-nonanol 547.89
    cyclohexanol 2989.0
    benzyl alcohol 1116.92
    2-ethylhexanol 1009.78
    isooctanol 487.28
    dipropyl ether 2401.02
    1,2-dichlorobenzene 2483.76
    ethyl lactate 772.86
    propylene carbonate 3844.86
    n-methylformamide 4322.44
    2-pentanol 1428.44
    n-pentane 496.79
    1-propoxy-2-propanol 1974.02
    1-methoxy-2-propyl acetate 2404.66
    2-(2-methoxypropoxy) propanol 890.17
    mesitylene 664.75
    ε-caprolactone 5628.29
    p-cymene 539.97
    epichlorohydrin 6820.82
    1,1,1-trichloroethane 5997.19
    2-aminoethanol 1264.16
    morpholine-4-carbaldehyde 4799.55
    sulfolane 10389.01
    2,2,4-trimethylpentane 119.96
    2-methyltetrahydrofuran 6804.02
    n-hexyl acetate 1929.49
    isooctane 110.06
    2-(2-butoxyethoxy)ethanol 1481.43
    sec-butyl acetate 1465.43
    tert-butyl acetate 2372.97
    decalin 324.45
    glycerin 1132.52
    diglyme 3816.08
    acrylic acid 2572.43
    isopropyl myristate 614.64
    n-butyric acid 4143.58
    acetyl acetate 2998.15
    di(2-ethylhexyl) phthalate 441.52
    ethyl propionate 1947.77
    nitromethane 9680.81
    1,2-diethoxyethane 3409.7
    benzonitrile 2627.37
    trioctyl phosphate 374.65
    1-bromopropane 3525.37
    gamma-valerolactone 9412.57
    n-decanol 370.37
    triethyl phosphate 688.99
    4-methyl-2-pentanol 572.37
    propionitrile 3345.08
    vinylene carbonate 3511.62
    1,1,2-trichlorotrifluoroethane 4226.53
    DMS 1511.38
    cumene 382.5
    2-octanol 499.49
    2-hexanone 3109.27
    octyl acetate 752.7
    limonene 1089.13
    1,2-dimethoxyethane 3991.26
    ethyl orthosilicate 683.94
    tributyl phosphate 527.29
    diacetone alcohol 1980.65
    N,N-dimethylaniline 785.64
    acrylonitrile 4071.03
    aniline 2290.49
    1,3-propanediol 1695.37
    bromobenzene 3778.51
    dibromomethane 5608.2
    1,1,2,2-tetrachloroethane 7754.98
    2-methyl-cyclohexyl acetate 1269.16
    tetrabutyl urea 735.17
    diisobutyl methanol 627.74
    2-phenylethanol 1154.53
    styrene 1265.83
    dioctyl adipate 931.68
    dimethyl sulfate 2094.3
    ethyl butyrate 2425.17
    methyl lactate 1117.11
    butyl lactate 1120.47
    diethyl carbonate 1227.54
    propanediol butyl ether 1170.37
    triethyl orthoformate 1440.11
    p-tert-butyltoluene 515.06
    methyl 4-tert-butylbenzoate 934.57
    morpholine 7206.81
    tert-butylamine 1582.67
    n-dodecanol 285.71
    dimethoxymethane 3703.27
    ethylene carbonate 3275.64
    cyrene 913.92
    2-ethoxyethyl acetate 2300.07
    2-ethylhexyl acetate 1936.84
    1,2,4-trichlorobenzene 2520.38
    4-methylpyridine 5319.15
    dibutyl ether 1815.57
    2,6-dimethyl-4-heptanol 627.74
    DEF 3941.36
    dimethyl isosorbide 1807.92
    tetrachloroethylene 5513.55
    eugenol 866.67
    triacetin 1679.11
    span 80 1007.2
    1,4-butanediol 687.81
    1,1-dichloroethane 6298.33
    2-methyl-1-pentanol 894.29
    methyl formate 3075.27
    2-methyl-1-butanol 1258.64
    n-decane 173.62
    butyronitrile 3631.19
    3,7-dimethyl-1-octanol 617.23
    1-chlorooctane 720.73
    1-chlorotetradecane 224.91
    n-nonane 208.63
    undecane 111.17
    tert-butylcyclohexane 218.4
    cyclooctane 469.17
    cyclopentanol 3343.7
    tetrahydropyran 9736.11
    tert-amyl methyl ether 1326.83
    2,5,8-trioxanonane 2037.61
    1-hexene 1697.61
    2-isopropoxyethanol 1258.1
    2,2,2-trifluoroethanol 1219.51
    methyl butyrate 2961.12

    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