3-Methylhexan-1-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    13231-81-7

    Molecular formula
    C7H16O

    SMILES
    CCCC(C)CCO

  • Odor profile

    Green 90.83%
    Fruity 71.55%
    Oily 67.39%
    Sweet 66.1%
    Herbal 64.48%
    Fatty 59.44%
    Floral 55.99%
    Fresh 51.94%
    Fermented 51.35%
    Musty 49.82%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    168°C

    Flash point est.
    65.92 ˚C

  • Synonyms

    • 3-METHYL-1-HEXANOL
    • 13231-81-7
    • 3-methylhexan-1-ol
    • 1-Hexanol, 3-methyl-
    • 3-methylhexanol
    • DTXSID20927629
    • MFCD01321178
    • SCHEMBL497428
    • DTXCID40980736
    • AKOS009157982
    • AS-57350
    • FM178505
    • CS-0216041
    • M1246
    • EN300-323196
    • T71716

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7512.46
    methanol 4770.78
    isopropanol 6884.91
    water 1.29
    ethyl acetate 2029.6
    n-propanol 5730.27
    acetone 3575.69
    n-butanol 5656.11
    acetonitrile 2428.85
    DMF 1779.05
    toluene 344.55
    isobutanol 3941.97
    1,4-dioxane 3817.56
    methyl acetate 1520.2
    THF 7081.5
    2-butanone 2064.31
    n-pentanol 2382.59
    sec-butanol 4009.46
    n-hexane 491.99
    ethylene glycol 739.8
    NMP 1422.87
    cyclohexane 788.5
    DMSO 3548.45
    n-butyl acetate 2948.87
    n-octanol 896.93
    chloroform 3314.12
    n-propyl acetate 1187.4
    acetic acid 3099.8
    dichloromethane 3095.2
    cyclohexanone 3674.09
    propylene glycol 1346.16
    isopropyl acetate 1075.88
    DMAc 631.46
    2-ethoxyethanol 1691.77
    isopentanol 3713.0
    n-heptane 845.11
    ethyl formate 1568.83
    1,2-dichloroethane 1948.86
    n-hexanol 4528.97
    2-methoxyethanol 3991.08
    isobutyl acetate 652.85
    tetrachloromethane 787.68
    n-pentyl acetate 883.24
    transcutol 3164.18
    n-heptanol 1208.64
    ethylbenzene 186.45
    MIBK 963.87
    2-propoxyethanol 3584.74
    tert-butanol 5653.88
    MTBE 2401.02
    2-butoxyethanol 1415.23
    propionic acid 2406.06
    o-xylene 212.08
    formic acid 609.36
    diethyl ether 2564.48
    m-xylene 269.89
    p-xylene 245.77
    chlorobenzene 659.94
    dimethyl carbonate 206.02
    n-octane 151.76
    formamide 700.82
    cyclopentanone 3468.26
    2-pentanone 2050.81
    anisole 414.4
    cyclopentyl methyl ether 2313.48
    gamma-butyrolactone 3317.92
    1-methoxy-2-propanol 2784.77
    pyridine 1709.19
    3-pentanone 924.8
    furfural 1719.85
    n-dodecane 77.73
    diethylene glycol 1652.11
    diisopropyl ether 638.35
    tert-amyl alcohol 2857.9
    acetylacetone 1233.18
    n-hexadecane 87.56
    acetophenone 317.19
    methyl propionate 1059.84
    isopentyl acetate 1930.21
    trichloroethylene 2607.87
    n-nonanol 697.86
    cyclohexanol 3305.86
    benzyl alcohol 430.62
    2-ethylhexanol 2113.31
    isooctanol 793.14
    dipropyl ether 2417.6
    1,2-dichlorobenzene 494.4
    ethyl lactate 340.06
    propylene carbonate 1520.36
    n-methylformamide 1596.79
    2-pentanol 2930.79
    n-pentane 570.98
    1-propoxy-2-propanol 2995.39
    1-methoxy-2-propyl acetate 1286.23
    2-(2-methoxypropoxy) propanol 640.01
    mesitylene 180.5
    ε-caprolactone 2451.3
    p-cymene 307.01
    epichlorohydrin 3274.93
    1,1,1-trichloroethane 1767.31
    2-aminoethanol 2070.23
    morpholine-4-carbaldehyde 1629.34
    sulfolane 2826.41
    2,2,4-trimethylpentane 188.32
    2-methyltetrahydrofuran 5030.92
    n-hexyl acetate 1113.75
    isooctane 184.17
    2-(2-butoxyethoxy)ethanol 1167.41
    sec-butyl acetate 618.35
    tert-butyl acetate 1002.19
    decalin 176.06
    glycerin 1074.08
    diglyme 1945.39
    acrylic acid 1324.11
    isopropyl myristate 361.49
    n-butyric acid 4629.43
    acetyl acetate 682.07
    di(2-ethylhexyl) phthalate 278.98
    ethyl propionate 745.39
    nitromethane 2712.13
    1,2-diethoxyethane 1609.66
    benzonitrile 734.86
    trioctyl phosphate 286.92
    1-bromopropane 1827.86
    gamma-valerolactone 3554.21
    n-decanol 484.03
    triethyl phosphate 306.96
    4-methyl-2-pentanol 1125.47
    propionitrile 2206.88
    vinylene carbonate 1076.34
    1,1,2-trichlorotrifluoroethane 1567.99
    DMS 370.48
    cumene 141.19
    2-octanol 672.13
    2-hexanone 1234.13
    octyl acetate 459.7
    limonene 755.44
    1,2-dimethoxyethane 2392.7
    ethyl orthosilicate 351.15
    tributyl phosphate 339.85
    diacetone alcohol 1268.72
    N,N-dimethylaniline 214.94
    acrylonitrile 1767.79
    aniline 742.47
    1,3-propanediol 3234.31
    bromobenzene 577.45
    dibromomethane 2479.86
    1,1,2,2-tetrachloroethane 1986.24
    2-methyl-cyclohexyl acetate 700.54
    tetrabutyl urea 389.32
    diisobutyl methanol 877.37
    2-phenylethanol 765.91
    styrene 239.06
    dioctyl adipate 440.96
    dimethyl sulfate 306.21
    ethyl butyrate 1444.33
    methyl lactate 431.39
    butyl lactate 621.75
    diethyl carbonate 585.21
    propanediol butyl ether 1041.64
    triethyl orthoformate 796.3
    p-tert-butyltoluene 299.31
    methyl 4-tert-butylbenzoate 391.93
    morpholine 4944.18
    tert-butylamine 3705.68
    n-dodecanol 358.19
    dimethoxymethane 1245.35
    ethylene carbonate 1126.58
    cyrene 403.87
    2-ethoxyethyl acetate 795.52
    2-ethylhexyl acetate 1336.11
    1,2,4-trichlorobenzene 557.49
    4-methylpyridine 1424.12
    dibutyl ether 1149.33
    2,6-dimethyl-4-heptanol 877.37
    DEF 1427.32
    dimethyl isosorbide 1008.06
    tetrachloroethylene 1411.18
    eugenol 399.24
    triacetin 492.66
    span 80 870.08
    1,4-butanediol 840.18
    1,1-dichloroethane 2378.41
    2-methyl-1-pentanol 1485.08
    methyl formate 892.36
    2-methyl-1-butanol 3035.66
    n-decane 149.86
    butyronitrile 3300.31
    3,7-dimethyl-1-octanol 809.82
    1-chlorooctane 492.3
    1-chlorotetradecane 160.74
    n-nonane 170.43
    undecane 103.74
    tert-butylcyclohexane 183.54
    cyclooctane 193.37
    cyclopentanol 3965.64
    tetrahydropyran 5374.51
    tert-amyl methyl ether 1211.01
    2,5,8-trioxanonane 1062.54
    1-hexene 1248.22
    2-isopropoxyethanol 1041.82
    2,2,2-trifluoroethanol 507.43
    methyl butyrate 1202.07

    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
Aglaia duperreana flower (China) Aglaia duperreana Pierre, fam. Meliaceae 0.11%
Ginger (Australia) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.11%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.1%