5-Methyl-2-hexanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    627-59-8

    Molecular formula
    C7H16O

    SMILES
    CC(C)CCC(C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Green 79.42%
    Oily 64.39%
    Fermented 63.52%
    Alcoholic 57.98%
    Fruity 54.54%
    Floral 48.72%
    Ethereal 43.13%
    Herbal 40.68%
    Sweet 40.01%
    Musty 39.05%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    152°C

    Flash point est.
    50.78 ˚C

  • Synonyms

    • 5-METHYL-2-HEXANOL
    • 5-Methylhexan-2-ol
    • 627-59-8
    • 2-Hexanol, 5-methyl-
    • 2-Methyl-5-hexanol
    • 5-Methylhexanol-(2)
    • EINECS 211-004-9
    • MFCD00004558
    • ZDVJGWXFXGJSIU-UHFFFAOYSA-
    • DTXSID50870730
    • 5Methylhexan2ol
    • 2Hexanol, 5methyl
    • 5-Methyl-2-hexanol, 98%
    • SCHEMBL107490
    • (+/-)-5-methyl-2-hexanol
    • DTXCID60818426
    • AAA62759
    • AKOS000249321
    • SB83840
    • LS-13379
    • SY017302
    • DB-054272
    • CS-0225168
    • M1666
    • NS00042678
    • D91520
    • EN300-1229554
    • 211-004-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 285.27
    methanol 238.07
    isopropanol 328.84
    water 1.5
    ethyl acetate 96.95
    n-propanol 278.12
    acetone 142.26
    n-butanol 288.55
    acetonitrile 74.75
    DMF 141.5
    toluene 41.77
    isobutanol 231.16
    1,4-dioxane 183.85
    methyl acetate 105.32
    THF 355.26
    2-butanone 151.12
    n-pentanol 183.89
    sec-butanol 300.32
    n-hexane 96.06
    ethylene glycol 102.48
    NMP 160.75
    cyclohexane 52.16
    DMSO 159.95
    n-butyl acetate 182.96
    n-octanol 193.0
    chloroform 267.14
    n-propyl acetate 76.39
    acetic acid 127.56
    dichloromethane 128.23
    cyclohexanone 199.84
    propylene glycol 225.94
    isopropyl acetate 80.98
    DMAc 138.43
    2-ethoxyethanol 160.75
    isopentanol 256.36
    n-heptane 101.34
    ethyl formate 62.66
    1,2-dichloroethane 82.8
    n-hexanol 453.57
    2-methoxyethanol 267.09
    isobutyl acetate 71.67
    tetrachloromethane 72.48
    n-pentyl acetate 96.75
    transcutol 395.25
    n-heptanol 207.23
    ethylbenzene 43.27
    MIBK 94.97
    2-propoxyethanol 383.76
    tert-butanol 418.64
    MTBE 224.24
    2-butoxyethanol 222.74
    propionic acid 161.94
    o-xylene 45.74
    formic acid 42.03
    diethyl ether 119.28
    m-xylene 52.21
    p-xylene 56.79
    chlorobenzene 59.9
    dimethyl carbonate 25.25
    n-octane 31.4
    formamide 30.85
    cyclopentanone 242.43
    2-pentanone 123.25
    anisole 78.41
    cyclopentyl methyl ether 169.02
    gamma-butyrolactone 189.47
    1-methoxy-2-propanol 280.0
    pyridine 105.6
    3-pentanone 84.75
    furfural 164.35
    n-dodecane 22.58
    diethylene glycol 250.7
    diisopropyl ether 63.32
    tert-amyl alcohol 348.38
    acetylacetone 96.71
    n-hexadecane 23.89
    acetophenone 70.29
    methyl propionate 83.1
    isopentyl acetate 182.37
    trichloroethylene 160.96
    n-nonanol 157.33
    cyclohexanol 208.29
    benzyl alcohol 81.12
    2-ethylhexanol 256.65
    isooctanol 160.76
    dipropyl ether 187.07
    1,2-dichlorobenzene 63.85
    ethyl lactate 73.43
    propylene carbonate 120.12
    n-methylformamide 76.39
    2-pentanol 220.62
    n-pentane 56.61
    1-propoxy-2-propanol 365.12
    1-methoxy-2-propyl acetate 158.7
    2-(2-methoxypropoxy) propanol 191.95
    mesitylene 42.61
    ε-caprolactone 163.21
    p-cymene 65.21
    epichlorohydrin 160.99
    1,1,1-trichloroethane 134.33
    2-aminoethanol 202.28
    morpholine-4-carbaldehyde 183.06
    sulfolane 237.72
    2,2,4-trimethylpentane 39.01
    2-methyltetrahydrofuran 272.23
    n-hexyl acetate 164.08
    isooctane 36.81
    2-(2-butoxyethoxy)ethanol 252.19
    sec-butyl acetate 66.46
    tert-butyl acetate 112.91
    decalin 37.05
    glycerin 224.08
    diglyme 295.87
    acrylic acid 117.85
    isopropyl myristate 79.69
    n-butyric acid 212.49
    acetyl acetate 55.19
    di(2-ethylhexyl) phthalate 79.08
    ethyl propionate 66.48
    nitromethane 95.25
    1,2-diethoxyethane 123.32
    benzonitrile 87.31
    trioctyl phosphate 72.75
    1-bromopropane 103.92
    gamma-valerolactone 237.47
    n-decanol 122.1
    triethyl phosphate 65.62
    4-methyl-2-pentanol 147.59
    propionitrile 120.95
    vinylene carbonate 92.28
    1,1,2-trichlorotrifluoroethane 183.75
    DMS 73.17
    cumene 47.25
    2-octanol 137.63
    2-hexanone 113.15
    octyl acetate 97.7
    limonene 110.59
    1,2-dimethoxyethane 201.1
    ethyl orthosilicate 70.84
    tributyl phosphate 75.21
    diacetone alcohol 184.22
    N,N-dimethylaniline 68.53
    acrylonitrile 103.31
    aniline 81.1
    1,3-propanediol 220.12
    bromobenzene 55.05
    dibromomethane 122.4
    1,1,2,2-tetrachloroethane 192.13
    2-methyl-cyclohexyl acetate 128.58
    tetrabutyl urea 88.92
    diisobutyl methanol 142.74
    2-phenylethanol 143.0
    styrene 43.19
    dioctyl adipate 96.71
    dimethyl sulfate 45.51
    ethyl butyrate 110.68
    methyl lactate 90.46
    butyl lactate 122.3
    diethyl carbonate 66.71
    propanediol butyl ether 247.72
    triethyl orthoformate 98.52
    p-tert-butyltoluene 72.78
    methyl 4-tert-butylbenzoate 119.74
    morpholine 229.43
    tert-butylamine 315.71
    n-dodecanol 95.26
    dimethoxymethane 92.83
    ethylene carbonate 77.14
    cyrene 120.33
    2-ethoxyethyl acetate 97.59
    2-ethylhexyl acetate 140.92
    1,2,4-trichlorobenzene 82.49
    4-methylpyridine 107.74
    dibutyl ether 124.51
    2,6-dimethyl-4-heptanol 142.74
    DEF 103.02
    dimethyl isosorbide 231.49
    tetrachloroethylene 123.74
    eugenol 126.87
    triacetin 123.58
    span 80 227.76
    1,4-butanediol 103.9
    1,1-dichloroethane 134.23
    2-methyl-1-pentanol 165.25
    methyl formate 49.74
    2-methyl-1-butanol 226.81
    n-decane 38.31
    butyronitrile 143.85
    3,7-dimethyl-1-octanol 180.31
    1-chlorooctane 94.76
    1-chlorotetradecane 40.83
    n-nonane 40.36
    undecane 28.03
    tert-butylcyclohexane 51.78
    cyclooctane 26.09
    cyclopentanol 236.95
    tetrahydropyran 221.66
    tert-amyl methyl ether 168.86
    2,5,8-trioxanonane 225.26
    1-hexene 162.73
    2-isopropoxyethanol 140.44
    2,2,2-trifluoroethanol 43.07
    methyl butyrate 90.47

    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
Ginger (China) 7 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%