6-Methyloctan-1-ol

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  • Identifiers

    CAS number
    38514-05-5

    Molecular formula
    C9H20O

    SMILES
    CCC(C)CCCCCO

    Safety labels

  • Odor profile

    Fragrance
    Floral 74.87%
    Waxy 63.76%
    Rose 60.38%
    Fatty 59.92%
    Green 59.48%
    Oily 59.19%
    Sweet 59.04%
    Citrus 58.44%
    Fresh 57.88%
    Orange 43.89%

     

    Flavor
    Waxy 63.62%
    Green 62.6%
    Floral 62.04%
    Fresh 55.41%
    Citrus 55.34%
    Rose 49.35%
    Orange 44.28%
    Aldehydic 42.47%
    Clean 42.13%
    Mushroom 41.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.96 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    208°C

    Flash point

    • 86.83 ˚C est.

  • Synonyms

    • 6-Methyloctan-1-ol
    • 38514-05-5
    • EINECS 253-977-2
    • DTXSID10959373
    • RefChem:105045
    • DTXCID50939472
    • 253-977-2
    • WWRGKAMABZHMCN-UHFFFAOYSA-N
    • 6-Methyl-1-octanol
    • 1-Octanol, 6-methyl-
    • MFCD02258715
    • 6-methyloctanol
    • 6-?Methyl-1-?octanol
    • SCHEMBL50952
    • SCHEMBL50953
    • SCHEMBL21274275
    • AKOS006230286
    • SB44916
    • SB84051
    • DS-16513
    • DB-341866
    • CS-0203503
    • NS00058094
    • C74966
    • 38514-05-5

  • Applications

    6-Methyloctan-1-ol (CAS 38514-05-5) is a branched long-chain primary alcohol used mainly as a fragrance ingredient and as a synthesis building block for aroma compounds in perfumery. It is commonly evaluated as an intermediate for the production of esters and other fragrance molecules. In cosmetics and personal care, it can function as a solvent or co-solvent and processing aid in formulations. In household products and cleaning formulations, it may serve as a fragrance carrier and solvent for active ingredients. In industrial manufacturing and in coatings and inks, it can be used as a solvent or diluent for resins and as a precursor in the synthesis of specialty chemicals. Depending on formulation needs and local regulations, it may also be employed as a processing aid or as a modifier of polymer properties in certain systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25504.56
    methanol 19239.06
    isopropanol 27654.85
    water 0.47
    ethyl acetate 14110.48
    n-propanol 25521.76
    acetone 21856.14
    n-butanol 23746.37
    acetonitrile 9750.71
    DMF 8377.92
    toluene 2464.04
    isobutanol 18166.36
    1,4-dioxane 12787.1
    methyl acetate 8044.17
    THF 23744.74
    2-butanone 15057.74
    n-pentanol 11533.69
    sec-butanol 18092.32
    n-hexane 4534.09
    ethylene glycol 1484.3
    NMP 3884.23
    cyclohexane 4071.65
    DMSO 13672.9
    n-butyl acetate 12747.71
    n-octanol 2592.93
    chloroform 10150.3
    n-propyl acetate 9141.81
    acetic acid 6791.33
    dichloromethane 8746.14
    cyclohexanone 14935.62
    propylene glycol 3461.11
    isopropyl acetate 7952.64
    DMAc 3129.06
    2-ethoxyethanol 8626.13
    isopentanol 16914.71
    n-heptane 2353.12
    ethyl formate 6054.17
    1,2-dichloroethane 7968.2
    n-hexanol 13420.67
    2-methoxyethanol 15276.6
    isobutyl acetate 3978.2
    tetrachloromethane 3096.93
    n-pentyl acetate 3956.14
    transcutol 14744.76
    n-heptanol 3579.3
    ethylbenzene 1301.49
    MIBK 6819.93
    2-propoxyethanol 12709.82
    tert-butanol 27066.92
    MTBE 18111.66
    2-butoxyethanol 5066.13
    propionic acid 8054.73
    o-xylene 1239.28
    formic acid 1247.45
    diethyl ether 18761.93
    m-xylene 1687.03
    p-xylene 1585.77
    chlorobenzene 2683.02
    dimethyl carbonate 932.24
    n-octane 543.52
    formamide 2346.5
    cyclopentanone 13916.56
    2-pentanone 15601.01
    anisole 2384.64
    cyclopentyl methyl ether 12448.73
    gamma-butyrolactone 10653.99
    1-methoxy-2-propanol 12231.03
    pyridine 7731.49
    3-pentanone 6881.91
    furfural 5027.86
    n-dodecane 187.55
    diethylene glycol 4332.26
    diisopropyl ether 4954.78
    tert-amyl alcohol 15157.62
    acetylacetone 6502.02
    n-hexadecane 219.32
    acetophenone 1572.91
    methyl propionate 6795.43
    isopentyl acetate 8236.02
    trichloroethylene 9658.19
    n-nonanol 2009.42
    cyclohexanol 13056.04
    benzyl alcohol 2138.97
    2-ethylhexanol 6557.77
    isooctanol 2700.09
    dipropyl ether 11661.46
    1,2-dichlorobenzene 1849.98
    ethyl lactate 1617.67
    propylene carbonate 4456.29
    n-methylformamide 7300.79
    2-pentanol 14702.51
    n-pentane 3222.56
    1-propoxy-2-propanol 11146.7
    1-methoxy-2-propyl acetate 5642.97
    2-(2-methoxypropoxy) propanol 1731.42
    mesitylene 1074.68
    ε-caprolactone 9847.5
    p-cymene 1051.37
    epichlorohydrin 11420.72
    1,1,1-trichloroethane 7768.27
    2-aminoethanol 6192.54
    morpholine-4-carbaldehyde 4991.22
    sulfolane 7703.57
    2,2,4-trimethylpentane 982.18
    2-methyltetrahydrofuran 20927.26
    n-hexyl acetate 4214.04
    isooctane 987.83
    2-(2-butoxyethoxy)ethanol 3627.22
    sec-butyl acetate 4786.9
    tert-butyl acetate 7193.97
    decalin 936.1
    glycerin 2463.21
    diglyme 7330.83
    acrylic acid 3648.28
    isopropyl myristate 1057.91
    n-butyric acid 17373.82
    acetyl acetate 3021.73
    di(2-ethylhexyl) phthalate 614.58
    ethyl propionate 5723.92
    nitromethane 8662.06
    1,2-diethoxyethane 9426.85
    benzonitrile 2874.38
    trioctyl phosphate 660.73
    1-bromopropane 8129.6
    gamma-valerolactone 13040.86
    n-decanol 1316.63
    triethyl phosphate 1091.82
    4-methyl-2-pentanol 5649.26
    propionitrile 11031.58
    vinylene carbonate 3019.78
    1,1,2-trichlorotrifluoroethane 5001.65
    DMS 1231.53
    cumene 807.35
    2-octanol 2264.11
    2-hexanone 9493.75
    octyl acetate 1300.95
    limonene 2503.16
    1,2-dimethoxyethane 13543.64
    ethyl orthosilicate 1372.31
    tributyl phosphate 903.88
    diacetone alcohol 6592.12
    N,N-dimethylaniline 1122.11
    acrylonitrile 7701.16
    aniline 4165.24
    1,3-propanediol 10326.83
    bromobenzene 2542.38
    dibromomethane 7829.91
    1,1,2,2-tetrachloroethane 8144.72
    2-methyl-cyclohexyl acetate 2504.74
    tetrabutyl urea 961.28
    diisobutyl methanol 3135.81
    2-phenylethanol 2654.93
    styrene 1704.74
    dioctyl adipate 1153.06
    dimethyl sulfate 1086.72
    ethyl butyrate 7349.54
    methyl lactate 1751.25
    butyl lactate 2327.93
    diethyl carbonate 2512.65
    propanediol butyl ether 2942.27
    triethyl orthoformate 3465.51
    p-tert-butyltoluene 1051.19
    methyl 4-tert-butylbenzoate 1088.1
    morpholine 19491.76
    tert-butylamine 19557.9
    n-dodecanol 921.07
    dimethoxymethane 6764.15
    ethylene carbonate 3575.28
    cyrene 1037.75
    2-ethoxyethyl acetate 3393.83
    2-ethylhexyl acetate 5815.94
    1,2,4-trichlorobenzene 1815.1
    4-methylpyridine 7698.14
    dibutyl ether 5988.87
    2,6-dimethyl-4-heptanol 3135.81
    DEF 8821.52
    dimethyl isosorbide 2378.98
    tetrachloroethylene 6348.08
    eugenol 1038.41
    triacetin 1582.9
    span 80 2025.53
    1,4-butanediol 2850.38
    1,1-dichloroethane 10630.91
    2-methyl-1-pentanol 7375.38
    methyl formate 3494.08
    2-methyl-1-butanol 13847.9
    n-decane 462.77
    butyronitrile 15518.59
    3,7-dimethyl-1-octanol 2910.06
    1-chlorooctane 1673.85
    1-chlorotetradecane 435.45
    n-nonane 575.21
    undecane 277.05
    tert-butylcyclohexane 1048.79
    cyclooctane 1005.29
    cyclopentanol 13088.26
    tetrahydropyran 25473.97
    tert-amyl methyl ether 8748.75
    2,5,8-trioxanonane 2841.84
    1-hexene 10297.28
    2-isopropoxyethanol 5404.43
    2,2,2-trifluoroethanol 1141.66
    methyl butyrate 8586.86

    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