Acetonitrile, (hexyloxy)-

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  • Identifiers

    CAS number
    66912-24-1

    Molecular formula
    C8H15NO

    SMILES
    CCCCCCOCC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 70.61%
    Green 56.44%
    Fatty 51.77%
    Herbal 46.89%
    Oily 45.49%
    Sweet 42.95%
    Fresh 41.47%
    Fruity 35.65%
    Mushroom 32.37%
    Violet 32.23%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    141.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point est.
    89.39 ˚C

  • Synonyms

    • Acetonitrile, (hexyloxy)-
    • 66912-24-1
    • HEXYLOXY-ACETONITRILE
    • SCHEMBL2287855
    • DTXSID10407945
    • AKOS009262526

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2117.23
    methanol 2826.18
    isopropanol 1356.43
    water 1.76
    ethyl acetate 2017.24
    n-propanol 1409.02
    acetone 5294.87
    n-butanol 1060.6
    acetonitrile 2399.96
    DMF 3208.28
    toluene 535.41
    isobutanol 946.29
    1,4-dioxane 2803.29
    methyl acetate 1807.92
    THF 3479.39
    2-butanone 2174.55
    n-pentanol 665.38
    sec-butanol 918.47
    n-hexane 210.47
    ethylene glycol 668.98
    NMP 2323.86
    cyclohexane 698.2
    DMSO 6582.88
    n-butyl acetate 1585.65
    n-octanol 288.17
    chloroform 4454.25
    n-propyl acetate 1143.14
    acetic acid 3270.88
    dichloromethane 4624.64
    cyclohexanone 3369.37
    propylene glycol 683.07
    isopropyl acetate 969.87
    DMAc 1556.78
    2-ethoxyethanol 1023.79
    isopentanol 717.05
    n-heptane 191.87
    ethyl formate 1140.39
    1,2-dichloroethane 3070.95
    n-hexanol 874.99
    2-methoxyethanol 2029.94
    isobutyl acetate 611.07
    tetrachloromethane 851.1
    n-pentyl acetate 657.17
    transcutol 3683.85
    n-heptanol 264.37
    ethylbenzene 230.11
    MIBK 640.64
    2-propoxyethanol 1119.37
    tert-butanol 1434.92
    MTBE 997.95
    2-butoxyethanol 575.02
    propionic acid 1682.15
    o-xylene 276.9
    formic acid 922.49
    diethyl ether 1553.63
    m-xylene 294.41
    p-xylene 340.84
    chlorobenzene 1061.44
    dimethyl carbonate 469.02
    n-octane 50.65
    formamide 1375.02
    cyclopentanone 3725.03
    2-pentanone 1603.99
    anisole 548.49
    cyclopentyl methyl ether 1509.95
    gamma-butyrolactone 3639.35
    1-methoxy-2-propanol 1233.16
    pyridine 2553.73
    3-pentanone 1194.23
    furfural 2344.13
    n-dodecane 32.58
    diethylene glycol 1045.48
    diisopropyl ether 340.72
    tert-amyl alcohol 838.52
    acetylacetone 2034.96
    n-hexadecane 39.01
    acetophenone 552.93
    methyl propionate 1317.97
    isopentyl acetate 963.3
    trichloroethylene 5102.95
    n-nonanol 237.31
    cyclohexanol 1323.86
    benzyl alcohol 469.67
    2-ethylhexanol 464.77
    isooctanol 217.54
    dipropyl ether 871.41
    1,2-dichlorobenzene 916.79
    ethyl lactate 377.67
    propylene carbonate 1584.11
    n-methylformamide 1831.28
    2-pentanol 657.37
    n-pentane 191.64
    1-propoxy-2-propanol 938.01
    1-methoxy-2-propyl acetate 972.74
    2-(2-methoxypropoxy) propanol 494.89
    mesitylene 196.96
    ε-caprolactone 1914.99
    p-cymene 198.93
    epichlorohydrin 2899.85
    1,1,1-trichloroethane 2556.87
    2-aminoethanol 912.95
    morpholine-4-carbaldehyde 1829.56
    sulfolane 4001.41
    2,2,4-trimethylpentane 64.01
    2-methyltetrahydrofuran 2370.14
    n-hexyl acetate 781.79
    isooctane 52.65
    2-(2-butoxyethoxy)ethanol 746.53
    sec-butyl acetate 584.61
    tert-butyl acetate 933.19
    decalin 128.2
    glycerin 855.0
    diglyme 1717.72
    acrylic acid 1501.49
    isopropyl myristate 255.81
    n-butyric acid 2004.95
    acetyl acetate 1344.22
    di(2-ethylhexyl) phthalate 223.06
    ethyl propionate 766.49
    nitromethane 5038.79
    1,2-diethoxyethane 1318.9
    benzonitrile 943.65
    trioctyl phosphate 173.33
    1-bromopropane 1516.51
    gamma-valerolactone 3157.14
    n-decanol 166.55
    triethyl phosphate 321.45
    4-methyl-2-pentanol 289.14
    propionitrile 1450.29
    vinylene carbonate 1403.15
    1,1,2-trichlorotrifluoroethane 2401.3
    DMS 690.9
    cumene 147.83
    2-octanol 188.71
    2-hexanone 1049.11
    octyl acetate 323.76
    limonene 394.99
    1,2-dimethoxyethane 1694.86
    ethyl orthosilicate 313.35
    tributyl phosphate 257.46
    diacetone alcohol 824.56
    N,N-dimethylaniline 305.96
    acrylonitrile 1814.16
    aniline 769.86
    1,3-propanediol 1128.97
    bromobenzene 1163.24
    dibromomethane 2963.03
    1,1,2,2-tetrachloroethane 3728.11
    2-methyl-cyclohexyl acetate 549.82
    tetrabutyl urea 331.39
    diisobutyl methanol 272.57
    2-phenylethanol 516.2
    styrene 367.01
    dioctyl adipate 436.77
    dimethyl sulfate 897.33
    ethyl butyrate 918.79
    methyl lactate 535.39
    butyl lactate 475.38
    diethyl carbonate 541.16
    propanediol butyl ether 593.77
    triethyl orthoformate 541.87
    p-tert-butyltoluene 188.7
    methyl 4-tert-butylbenzoate 423.76
    morpholine 2966.02
    tert-butylamine 901.57
    n-dodecanol 129.8
    dimethoxymethane 1333.05
    ethylene carbonate 1251.68
    cyrene 455.46
    2-ethoxyethyl acetate 908.99
    2-ethylhexyl acetate 725.95
    1,2,4-trichlorobenzene 1035.52
    4-methylpyridine 1577.56
    dibutyl ether 579.01
    2,6-dimethyl-4-heptanol 272.57
    DEF 1423.37
    dimethyl isosorbide 894.21
    tetrachloroethylene 2744.86
    eugenol 416.71
    triacetin 780.07
    span 80 517.2
    1,4-butanediol 432.04
    1,1-dichloroethane 2780.17
    2-methyl-1-pentanol 455.28
    methyl formate 1322.06
    2-methyl-1-butanol 664.08
    n-decane 61.02
    butyronitrile 1370.45
    3,7-dimethyl-1-octanol 305.39
    1-chlorooctane 256.68
    1-chlorotetradecane 95.04
    n-nonane 67.61
    undecane 42.7
    tert-butylcyclohexane 95.52
    cyclooctane 138.99
    cyclopentanol 1588.97
    tetrahydropyran 3350.29
    tert-amyl methyl ether 574.84
    2,5,8-trioxanonane 976.55
    1-hexene 576.57
    2-isopropoxyethanol 666.78
    2,2,2-trifluoroethanol 916.11
    methyl butyrate 1136.58

    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