3,6-Dimethyl-3-octanol

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  • Identifiers

    CAS number
    151-19-9

    Molecular formula
    C10H22O

    SMILES
    CCC(C)CCC(C)(CC)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 88.66%
    Sweet 72.25%
    Fresh 59.37%
    Rose 58.61%
    Citrus 57.33%
    Woody 56.63%
    Lily 47.85%
    Fruity 44.78%
    Lemon 41.73%
    Waxy 37.36%

     

    Flavor
    Floral 63.74%
    Green 58.11%
    Woody 51.2%
    Citrus 41.52%
    Lily 40.27%
    Oily 39.46%
    Waxy 38.19%
    Fresh 35.28%
    Earthy 32.12%
    Mild 30.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.5 (weak base)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    197°C

    Flash point

    • 75.7 ˚C est.

  • Synonyms

    • 3,6-DIMETHYL-3-OCTANOL
    • 3,6-Dimethyloctan-3-ol
    • 151-19-9
    • 3-Octanol, 3,6-dimethyl-
    • AR 1
    • Aprol 100
    • 3,6-Dimethyl-octan-3-ol
    • NSC 5613
    • EINECS 205-787-6
    • AI3-23412
    • DTXSID40861834
    • AR-1
    • 3-Octanol,6-dimethyl-
    • SCHEMBL295787
    • DTXCID00810702
    • NSC5613
    • NSC-5613
    • AKOS006275341
    • NS00012319

  • Applications

    3,6-Dimethyl-3-octanol, CAS 151-19-9, is commonly evaluated for fragrance applications in perfumery as an odorant and potential fixative; it may also be used in cosmetics/personal care as a fragrance ingredient. It can function as a solvent or carrier in household products, and in coatings/inks as a processing solvent or additive; in polymers/plastics it may serve as a processing aid or minor plasticizer; and in industrial manufacturing it is used as an intermediate or solvent in specialized formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2372.97
    methanol 1225.92
    isopropanol 2912.03
    water 0.75
    ethyl acetate 1329.45
    n-propanol 2116.89
    acetone 1190.41
    n-butanol 2246.52
    acetonitrile 906.79
    DMF 717.57
    toluene 623.63
    isobutanol 1732.68
    1,4-dioxane 2489.31
    methyl acetate 1033.5
    THF 3365.05
    2-butanone 1410.12
    n-pentanol 1512.71
    sec-butanol 2485.19
    n-hexane 1084.91
    ethylene glycol 197.12
    NMP 522.45
    cyclohexane 1000.35
    DMSO 736.12
    n-butyl acetate 1837.99
    n-octanol 1151.96
    chloroform 2255.48
    n-propyl acetate 835.66
    acetic acid 581.25
    dichloromethane 1342.21
    cyclohexanone 1553.68
    propylene glycol 612.93
    isopropyl acetate 967.19
    DMAc 689.47
    2-ethoxyethanol 1120.31
    isopentanol 2079.49
    n-heptane 1053.89
    ethyl formate 620.19
    1,2-dichloroethane 865.47
    n-hexanol 2979.22
    2-methoxyethanol 1545.31
    isobutyl acetate 672.87
    tetrachloromethane 559.65
    n-pentyl acetate 860.42
    transcutol 2653.09
    n-heptanol 1226.29
    ethylbenzene 446.89
    MIBK 871.07
    2-propoxyethanol 2063.86
    tert-butanol 3615.01
    MTBE 2858.98
    2-butoxyethanol 1152.64
    propionic acid 750.6
    o-xylene 415.55
    formic acid 104.22
    diethyl ether 2044.11
    m-xylene 448.38
    p-xylene 571.39
    chlorobenzene 595.19
    dimethyl carbonate 149.69
    n-octane 309.78
    formamide 146.19
    cyclopentanone 1285.38
    2-pentanone 1191.02
    anisole 663.16
    cyclopentyl methyl ether 1424.45
    gamma-butyrolactone 985.28
    1-methoxy-2-propanol 1609.94
    pyridine 1235.16
    3-pentanone 701.28
    furfural 780.42
    n-dodecane 191.14
    diethylene glycol 838.92
    diisopropyl ether 806.88
    tert-amyl alcohol 2743.23
    acetylacetone 749.12
    n-hexadecane 207.87
    acetophenone 450.08
    methyl propionate 680.52
    isopentyl acetate 1646.36
    trichloroethylene 1270.08
    n-nonanol 969.21
    cyclohexanol 1680.73
    benzyl alcohol 518.77
    2-ethylhexanol 1817.0
    isooctanol 952.17
    dipropyl ether 1997.09
    1,2-dichlorobenzene 472.53
    ethyl lactate 323.06
    propylene carbonate 668.1
    n-methylformamide 401.69
    2-pentanol 1806.23
    n-pentane 764.34
    1-propoxy-2-propanol 1980.92
    1-methoxy-2-propyl acetate 1052.17
    2-(2-methoxypropoxy) propanol 850.05
    mesitylene 338.9
    ε-caprolactone 1303.71
    p-cymene 453.1
    epichlorohydrin 1309.06
    1,1,1-trichloroethane 1324.29
    2-aminoethanol 661.86
    morpholine-4-carbaldehyde 1020.48
    sulfolane 800.14
    2,2,4-trimethylpentane 324.22
    2-methyltetrahydrofuran 2716.48
    n-hexyl acetate 1308.14
    isooctane 325.2
    2-(2-butoxyethoxy)ethanol 1261.91
    sec-butyl acetate 706.43
    tert-butyl acetate 1018.89
    decalin 371.72
    glycerin 475.36
    diglyme 1811.15
    acrylic acid 385.65
    isopropyl myristate 533.56
    n-butyric acid 1514.51
    acetyl acetate 499.86
    di(2-ethylhexyl) phthalate 375.33
    ethyl propionate 672.3
    nitromethane 602.9
    1,2-diethoxyethane 1419.16
    benzonitrile 698.69
    trioctyl phosphate 342.95
    1-bromopropane 1400.45
    gamma-valerolactone 1540.14
    n-decanol 705.51
    triethyl phosphate 353.5
    4-methyl-2-pentanol 1120.17
    propionitrile 1237.46
    vinylene carbonate 513.88
    1,1,2-trichlorotrifluoroethane 775.47
    DMS 413.3
    cumene 350.27
    2-octanol 896.89
    2-hexanone 1086.71
    octyl acetate 624.24
    limonene 810.96
    1,2-dimethoxyethane 1930.9
    ethyl orthosilicate 402.63
    tributyl phosphate 385.79
    diacetone alcohol 1015.53
    N,N-dimethylaniline 450.19
    acrylonitrile 791.05
    aniline 763.88
    1,3-propanediol 1046.24
    bromobenzene 624.05
    dibromomethane 1268.48
    1,1,2,2-tetrachloroethane 1313.68
    2-methyl-cyclohexyl acetate 774.55
    tetrabutyl urea 426.88
    diisobutyl methanol 914.42
    2-phenylethanol 821.34
    styrene 487.61
    dioctyl adipate 569.54
    dimethyl sulfate 180.24
    ethyl butyrate 1094.09
    methyl lactate 313.48
    butyl lactate 612.96
    diethyl carbonate 558.69
    propanediol butyl ether 1011.79
    triethyl orthoformate 782.83
    p-tert-butyltoluene 497.4
    methyl 4-tert-butylbenzoate 575.16
    morpholine 3004.02
    tert-butylamine 2970.94
    n-dodecanol 543.7
    dimethoxymethane 716.81
    ethylene carbonate 555.36
    cyrene 447.19
    2-ethoxyethyl acetate 776.77
    2-ethylhexyl acetate 1293.47
    1,2,4-trichlorobenzene 536.86
    4-methylpyridine 1282.16
    dibutyl ether 1440.56
    2,6-dimethyl-4-heptanol 914.42
    DEF 866.49
    dimethyl isosorbide 984.56
    tetrachloroethylene 799.17
    eugenol 499.6
    triacetin 676.92
    span 80 964.05
    1,4-butanediol 378.25
    1,1-dichloroethane 1472.51
    2-methyl-1-pentanol 1296.09
    methyl formate 243.67
    2-methyl-1-butanol 1689.15
    n-decane 351.41
    butyronitrile 1722.66
    3,7-dimethyl-1-octanol 1136.49
    1-chlorooctane 732.73
    1-chlorotetradecane 288.73
    n-nonane 394.12
    undecane 244.16
    tert-butylcyclohexane 419.4
    cyclooctane 348.51
    cyclopentanol 1451.86
    tetrahydropyran 3397.21
    tert-amyl methyl ether 1600.63
    2,5,8-trioxanonane 1118.08
    1-hexene 1903.8
    2-isopropoxyethanol 949.12
    2,2,2-trifluoroethanol 128.91
    methyl butyrate 888.25

    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