4,7-Dimethyl-4-octanol

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  • Identifiers

    CAS number
    19781-13-6

    Molecular formula
    C10H22O

    SMILES
    CCCC(C)(CCC(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 72.6%
    Sweet 61.88%
    Woody 55.5%
    Fruity 51.36%
    Citrus 50.56%
    Fresh 50.54%
    Rose 48.93%
    Herbal 45.1%
    Lily 35.78%
    Lemon 35.74%

     

    Flavor
    Floral 65.94%
    Green 52.58%
    Woody 47.16%
    Oily 41.71%
    Lily 41.46%
    Mild 35.51%
    Citrus 33.49%
    Earthy 31.72%
    Flower 31.17%
    Fresh 30.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.18 (weak base)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    193°C

    Flash point

    • 75.75 ˚C est.

  • Synonyms

    • 4,7-Dimethyloctan-4-ol
    • 4,7-Dimethyl-4-octanol
    • 19781-13-6
    • DTXSID60864903
    • RefChem:1069551
    • DTXCID60813370
    • 243-306-1
    • 4-Octanol, 4,7-dimethyl-
    • MFCD00046603
    • EINECS 243-306-1
    • 2.5-Dimethyloctanol-5
    • SCHEMBL2395368
    • AKOS037645198
    • SB85180
    • AS-58308
    • DB-044977
    • CS-0449553
    • NS00046960
    • 19781-13-6

  • Applications

    4,7-Dimethyl-4-octanol (CAS 19781-13-6) is a branched, long-chain alcohol with potential applications across several industries. It may be used as an odorant/fragrance ingredient and can act as a fixative in perfumery; it may also serve as a solvent or processing solvent in cosmetics and personal-care products; it can function as a solvent or processing aid in coatings, paints, and inks; it is sometimes used as a chemical intermediate in the synthesis of specialty chemicals for industrial manufacturing; in the plastics and polymers sector, it may be used as a processing aid or intermediate for the production of specialty polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1558.78
    methanol 1184.55
    isopropanol 2164.42
    water 0.81
    ethyl acetate 794.33
    n-propanol 1597.03
    acetone 967.63
    n-butanol 1922.44
    acetonitrile 532.12
    DMF 777.51
    toluene 513.87
    isobutanol 1640.58
    1,4-dioxane 1756.61
    methyl acetate 663.85
    THF 2652.74
    2-butanone 1041.29
    n-pentanol 1295.13
    sec-butanol 2035.63
    n-hexane 1691.03
    ethylene glycol 199.27
    NMP 719.97
    cyclohexane 1248.06
    DMSO 614.2
    n-butyl acetate 1468.23
    n-octanol 1221.11
    chloroform 1787.29
    n-propyl acetate 646.73
    acetic acid 504.91
    dichloromethane 943.0
    cyclohexanone 1559.03
    propylene glycol 546.36
    isopropyl acetate 749.48
    DMAc 757.35
    2-ethoxyethanol 811.53
    isopentanol 1944.44
    n-heptane 1315.33
    ethyl formate 407.09
    1,2-dichloroethane 680.76
    n-hexanol 3143.57
    2-methoxyethanol 1142.86
    isobutyl acetate 623.01
    tetrachloromethane 514.99
    n-pentyl acetate 749.01
    transcutol 2070.65
    n-heptanol 1192.51
    ethylbenzene 423.26
    MIBK 801.46
    2-propoxyethanol 1927.65
    tert-butanol 3055.02
    MTBE 2610.39
    2-butoxyethanol 1085.84
    propionic acid 629.13
    o-xylene 420.86
    formic acid 113.76
    diethyl ether 1604.5
    m-xylene 463.06
    p-xylene 560.64
    chlorobenzene 516.08
    dimethyl carbonate 150.27
    n-octane 407.53
    formamide 98.81
    cyclopentanone 1242.33
    2-pentanone 990.38
    anisole 565.85
    cyclopentyl methyl ether 1417.48
    gamma-butyrolactone 927.73
    1-methoxy-2-propanol 1246.37
    pyridine 786.43
    3-pentanone 681.34
    furfural 691.82
    n-dodecane 248.6
    diethylene glycol 822.25
    diisopropyl ether 854.41
    tert-amyl alcohol 2388.37
    acetylacetone 600.95
    n-hexadecane 273.55
    acetophenone 405.33
    methyl propionate 520.33
    isopentyl acetate 1471.57
    trichloroethylene 1039.61
    n-nonanol 1013.06
    cyclohexanol 1770.97
    benzyl alcohol 433.72
    2-ethylhexanol 1943.36
    isooctanol 984.12
    dipropyl ether 1765.78
    1,2-dichlorobenzene 455.25
    ethyl lactate 316.12
    propylene carbonate 631.8
    n-methylformamide 326.26
    2-pentanol 1648.41
    n-pentane 1029.12
    1-propoxy-2-propanol 1864.01
    1-methoxy-2-propyl acetate 940.33
    2-(2-methoxypropoxy) propanol 830.59
    mesitylene 401.91
    ε-caprolactone 1168.58
    p-cymene 460.74
    epichlorohydrin 1059.59
    1,1,1-trichloroethane 1125.25
    2-aminoethanol 537.8
    morpholine-4-carbaldehyde 923.51
    sulfolane 922.08
    2,2,4-trimethylpentane 448.15
    2-methyltetrahydrofuran 2167.63
    n-hexyl acetate 1216.91
    isooctane 460.33
    2-(2-butoxyethoxy)ethanol 1113.34
    sec-butyl acetate 575.82
    tert-butyl acetate 968.84
    decalin 517.76
    glycerin 501.61
    diglyme 1529.83
    acrylic acid 363.95
    isopropyl myristate 557.34
    n-butyric acid 1175.51
    acetyl acetate 370.79
    di(2-ethylhexyl) phthalate 387.76
    ethyl propionate 531.11
    nitromethane 464.23
    1,2-diethoxyethane 1061.65
    benzonitrile 558.71
    trioctyl phosphate 387.07
    1-bromopropane 1114.99
    gamma-valerolactone 1306.14
    n-decanol 769.41
    triethyl phosphate 347.75
    4-methyl-2-pentanol 1175.76
    propionitrile 860.22
    vinylene carbonate 458.81
    1,1,2-trichlorotrifluoroethane 741.96
    DMS 434.32
    cumene 387.74
    2-octanol 885.46
    2-hexanone 941.59
    octyl acetate 647.35
    limonene 872.77
    1,2-dimethoxyethane 1573.74
    ethyl orthosilicate 411.38
    tributyl phosphate 429.76
    diacetone alcohol 938.93
    N,N-dimethylaniline 449.94
    acrylonitrile 559.0
    aniline 556.89
    1,3-propanediol 807.98
    bromobenzene 547.64
    dibromomethane 947.94
    1,1,2,2-tetrachloroethane 1243.6
    2-methyl-cyclohexyl acetate 774.37
    tetrabutyl urea 485.98
    diisobutyl methanol 985.8
    2-phenylethanol 779.6
    styrene 424.49
    dioctyl adipate 557.29
    dimethyl sulfate 202.74
    ethyl butyrate 810.82
    methyl lactate 310.87
    butyl lactate 612.22
    diethyl carbonate 442.47
    propanediol butyl ether 1024.92
    triethyl orthoformate 705.31
    p-tert-butyltoluene 503.63
    methyl 4-tert-butylbenzoate 602.97
    morpholine 1965.4
    tert-butylamine 2547.8
    n-dodecanol 609.61
    dimethoxymethane 653.44
    ethylene carbonate 482.83
    cyrene 480.56
    2-ethoxyethyl acetate 608.06
    2-ethylhexyl acetate 1199.33
    1,2,4-trichlorobenzene 506.56
    4-methylpyridine 931.24
    dibutyl ether 1350.79
    2,6-dimethyl-4-heptanol 985.8
    DEF 786.78
    dimethyl isosorbide 986.9
    tetrachloroethylene 817.57
    eugenol 506.9
    triacetin 639.55
    span 80 987.8
    1,4-butanediol 374.99
    1,1-dichloroethane 1098.64
    2-methyl-1-pentanol 1200.6
    methyl formate 216.55
    2-methyl-1-butanol 1611.64
    n-decane 458.55
    butyronitrile 1246.32
    3,7-dimethyl-1-octanol 1264.51
    1-chlorooctane 838.67
    1-chlorotetradecane 353.21
    n-nonane 507.97
    undecane 323.38
    tert-butylcyclohexane 585.41
    cyclooctane 504.03
    cyclopentanol 1443.54
    tetrahydropyran 2584.73
    tert-amyl methyl ether 1589.43
    2,5,8-trioxanonane 984.47
    1-hexene 2113.82
    2-isopropoxyethanol 780.0
    2,2,2-trifluoroethanol 130.43
    methyl butyrate 714.34

    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