2,6-Dimethyl-3-octanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    18479-55-5

    Molecular formula
    C10H22O

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

    Retention indicies (RI)

    • Carbowax: 1397.0

  • Odor profile

    Floral 63.86%
    Woody 46.04%
    Oily 43.61%
    Green 40.1%
    Herbal 39.68%
    Rose 39.2%
    Sweet 38.72%
    Citrus 37.14%
    Waxy 33.81%
    Lily 33.42%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    198°C

    Flash point est.
    79.94 ˚C

  • Synonyms

    • 2,6-Dimethyl-3-octanol
    • 3,7-dimethyl-6-octanol
    • 3-Octanol, 2,6-dimethyl-
    • 18479-55-5
    • 2,6-Dimethyl-3-octanol #
    • SCHEMBL295078
    • DTXSID30337715
    • MSDBCXHVDKLCCF-UHFFFAOYSA-N
    • AKOS011383910

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1752.47
    methanol 967.76
    isopropanol 1816.42
    water 0.42
    ethyl acetate 961.24
    n-propanol 1513.9
    acetone 797.38
    n-butanol 1722.03
    acetonitrile 721.14
    DMF 405.34
    toluene 433.99
    isobutanol 1152.68
    1,4-dioxane 1948.94
    methyl acetate 683.76
    THF 2682.26
    2-butanone 942.24
    n-pentanol 1144.23
    sec-butanol 1595.52
    n-hexane 787.61
    ethylene glycol 103.96
    NMP 349.91
    cyclohexane 794.35
    DMSO 472.23
    n-butyl acetate 1949.66
    n-octanol 723.72
    chloroform 1885.67
    n-propyl acetate 807.76
    acetic acid 557.67
    dichloromethane 1189.4
    cyclohexanone 1248.8
    propylene glycol 275.78
    isopropyl acetate 718.4
    DMAc 361.56
    2-ethoxyethanol 850.46
    isopentanol 1555.29
    n-heptane 769.82
    ethyl formate 532.7
    1,2-dichloroethane 768.99
    n-hexanol 2208.55
    2-methoxyethanol 1120.65
    isobutyl acetate 578.47
    tetrachloromethane 505.25
    n-pentyl acetate 763.41
    transcutol 2284.36
    n-heptanol 909.95
    ethylbenzene 307.08
    MIBK 601.36
    2-propoxyethanol 1616.11
    tert-butanol 2472.49
    MTBE 2096.28
    2-butoxyethanol 1017.36
    propionic acid 555.45
    o-xylene 270.34
    formic acid 99.08
    diethyl ether 1694.29
    m-xylene 299.3
    p-xylene 427.55
    chlorobenzene 456.3
    dimethyl carbonate 83.98
    n-octane 204.08
    formamide 125.14
    cyclopentanone 924.35
    2-pentanone 888.25
    anisole 463.9
    cyclopentyl methyl ether 1064.06
    gamma-butyrolactone 800.52
    1-methoxy-2-propanol 1026.31
    pyridine 1078.55
    3-pentanone 461.72
    furfural 695.11
    n-dodecane 102.91
    diethylene glycol 582.6
    diisopropyl ether 606.49
    tert-amyl alcohol 1801.53
    acetylacetone 530.67
    n-hexadecane 114.1
    acetophenone 340.3
    methyl propionate 411.9
    isopentyl acetate 1619.62
    trichloroethylene 1149.13
    n-nonanol 612.5
    cyclohexanol 1187.05
    benzyl alcohol 366.95
    2-ethylhexanol 1491.56
    isooctanol 721.96
    dipropyl ether 1790.02
    1,2-dichlorobenzene 380.68
    ethyl lactate 236.46
    propylene carbonate 570.35
    n-methylformamide 260.91
    2-pentanol 1241.83
    n-pentane 554.02
    1-propoxy-2-propanol 1586.05
    1-methoxy-2-propyl acetate 815.83
    2-(2-methoxypropoxy) propanol 572.23
    mesitylene 225.5
    ε-caprolactone 1070.97
    p-cymene 360.02
    epichlorohydrin 1109.04
    1,1,1-trichloroethane 1017.98
    2-aminoethanol 368.26
    morpholine-4-carbaldehyde 701.82
    sulfolane 567.52
    2,2,4-trimethylpentane 218.98
    2-methyltetrahydrofuran 2184.07
    n-hexyl acetate 881.39
    isooctane 215.39
    2-(2-butoxyethoxy)ethanol 916.57
    sec-butyl acetate 613.7
    tert-butyl acetate 752.67
    decalin 259.09
    glycerin 259.46
    diglyme 1479.33
    acrylic acid 287.22
    isopropyl myristate 340.86
    n-butyric acid 1284.72
    acetyl acetate 380.81
    di(2-ethylhexyl) phthalate 250.59
    ethyl propionate 525.19
    nitromethane 528.45
    1,2-diethoxyethane 1432.62
    benzonitrile 583.86
    trioctyl phosphate 229.41
    1-bromopropane 1081.51
    gamma-valerolactone 1221.19
    n-decanol 425.74
    triethyl phosphate 294.36
    4-methyl-2-pentanol 778.18
    propionitrile 907.97
    vinylene carbonate 439.49
    1,1,2-trichlorotrifluoroethane 613.23
    DMS 262.88
    cumene 245.8
    2-octanol 598.69
    2-hexanone 908.43
    octyl acetate 389.79
    limonene 638.94
    1,2-dimethoxyethane 1598.18
    ethyl orthosilicate 361.45
    tributyl phosphate 278.64
    diacetone alcohol 685.53
    N,N-dimethylaniline 298.04
    acrylonitrile 596.51
    aniline 524.25
    1,3-propanediol 741.19
    bromobenzene 477.23
    dibromomethane 1110.95
    1,1,2,2-tetrachloroethane 1090.87
    2-methyl-cyclohexyl acetate 656.04
    tetrabutyl urea 286.58
    diisobutyl methanol 762.8
    2-phenylethanol 579.67
    styrene 343.67
    dioctyl adipate 399.9
    dimethyl sulfate 101.8
    ethyl butyrate 1126.44
    methyl lactate 171.19
    butyl lactate 460.95
    diethyl carbonate 533.06
    propanediol butyl ether 653.52
    triethyl orthoformate 819.42
    p-tert-butyltoluene 353.18
    methyl 4-tert-butylbenzoate 386.48
    morpholine 2321.32
    tert-butylamine 2063.31
    n-dodecanol 314.57
    dimethoxymethane 431.29
    ethylene carbonate 469.05
    cyrene 317.89
    2-ethoxyethyl acetate 670.4
    2-ethylhexyl acetate 1293.17
    1,2,4-trichlorobenzene 404.73
    4-methylpyridine 1000.79
    dibutyl ether 1129.52
    2,6-dimethyl-4-heptanol 762.8
    DEF 634.48
    dimethyl isosorbide 721.6
    tetrachloroethylene 753.53
    eugenol 374.9
    triacetin 453.71
    span 80 641.88
    1,4-butanediol 254.75
    1,1-dichloroethane 1137.71
    2-methyl-1-pentanol 997.48
    methyl formate 165.58
    2-methyl-1-butanol 1233.3
    n-decane 207.46
    butyronitrile 1455.54
    3,7-dimethyl-1-octanol 747.44
    1-chlorooctane 474.71
    1-chlorotetradecane 169.39
    n-nonane 229.08
    undecane 140.19
    tert-butylcyclohexane 273.93
    cyclooctane 248.96
    cyclopentanol 946.82
    tetrahydropyran 2837.49
    tert-amyl methyl ether 1104.24
    2,5,8-trioxanonane 814.98
    1-hexene 1434.04
    2-isopropoxyethanol 731.89
    2,2,2-trifluoroethanol 116.14
    methyl butyrate 799.58

    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

Botanical

Name CAS Botanical Proportion
Lemongrass (Lagos) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.3%