2-Methylhexan-2-ol

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  • Identifiers

    CAS number
    625-23-0

    Molecular formula
    C7H16O

    SMILES
    CCCCC(C)(C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fermented 53.75%
    Herbal 52.58%
    Camphoreous 52.15%
    Fresh 46.55%
    Ethereal 46.43%
    Solvent 46.05%
    Fruity 45.92%
    Mint 45.91%
    Alcoholic 43.51%
    Floral 42.79%

     

    Flavor
    Pungent 43.03%
    Green 40.93%
    Floral 36.65%
    Oily 36.03%
    Woody 30.97%
    Earthy 29.82%
    Lily 28.32%
    Mild 24.98%
    Sweet 23.74%
    Citrus 22.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    10.38 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    143°C

    Flash point

    • 42.48 ˚C est.

  • Synonyms

    • 2-METHYL-2-HEXANOL
    • 2-Methylhexan-2-ol
    • 625-23-0
    • Butyldimethylcarbinol
    • EINECS 210-881-5
    • NSC 21977
    • KRIMXCDMVRMCTC-UHFFFAOYSA-
    • DTXSID30870713
    • 2Methylhexan2ol
    • nButyl dimethyl carbinol
    • RefChem:476062
    • 2Hexanol, 2methyl (8CI)
    • 2-Hexanol, 2-methyl-(8CI)
    • DTXCID40818409
    • 2Hexanol, 2methyl (8CI)(9CI)
    • 2-Hexanol, 2-methyl-(8CI)(9CI)
    • 210-881-5
    • InChI=1/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3
    • 2-Hexanol, 2-methyl-
    • MFCD00004486
    • 1,1-Dimethyl-1-pentanol
    • 2-methyl-hexan-2-ol
    • NSC-21977
    • NSC21977
    • Methyl-2 hexanol-2
    • 2-Methyl-2-hexanoI
    • 28929-86-4
    • 2-Methyl-2-hydroxyhexane
    • F7VY9G4LKD
    • SCHEMBL51788
    • SCHEMBL51789
    • 2-Methyl-2-hexanol, 97%
    • SCHEMBL226926
    • orb2939804
    • SCHEMBL1191245
    • SCHEMBL3161986
    • SCHEMBL5949716
    • SCHEMBL11442316
    • SCHEMBL27738826
    • AKOS009158465
    • HY-W111893
    • BS-22930
    • SY051607
    • CS-0181812
    • M0542
    • NS00043372
    • D91354
    • F624249
    • 625-23-0

  • Applications

    2-Methylhexan-2-ol (CAS 625-23-0) is a tertiary alcohol that is primarily used as a solvent and as an intermediate in industrial synthesis. In practice, it is commonly employed as a solvent for coatings, inks, and cleaning formulations; it also serves as a precursor for ester synthesis used in flavors and fragrances and in cosmetics. It can function as a starting material for polymer or plastics-related processes and may be evaluated as a specialty solvent in other industrial formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 411.45
    methanol 490.05
    isopropanol 500.87
    water 4.11
    ethyl acetate 181.18
    n-propanol 423.87
    acetone 234.46
    n-butanol 458.98
    acetonitrile 128.49
    DMF 270.4
    toluene 97.24
    isobutanol 375.49
    1,4-dioxane 354.91
    methyl acetate 183.6
    THF 578.33
    2-butanone 252.85
    n-pentanol 295.16
    sec-butanol 497.3
    n-hexane 328.33
    ethylene glycol 158.35
    NMP 330.35
    cyclohexane 175.91
    DMSO 217.12
    n-butyl acetate 271.83
    n-octanol 405.13
    chloroform 481.15
    n-propyl acetate 131.87
    acetic acid 208.85
    dichloromethane 240.37
    cyclohexanone 356.45
    propylene glycol 332.01
    isopropyl acetate 158.48
    DMAc 304.83
    2-ethoxyethanol 261.36
    isopentanol 418.57
    n-heptane 300.28
    ethyl formate 103.8
    1,2-dichloroethane 145.52
    n-hexanol 790.51
    2-methoxyethanol 418.98
    isobutyl acetate 128.01
    tetrachloromethane 146.56
    n-pentyl acetate 184.61
    transcutol 685.24
    n-heptanol 369.18
    ethylbenzene 90.12
    MIBK 186.1
    2-propoxyethanol 627.87
    tert-butanol 708.67
    MTBE 470.56
    2-butoxyethanol 367.96
    propionic acid 260.03
    o-xylene 108.26
    formic acid 73.75
    diethyl ether 291.42
    m-xylene 114.54
    p-xylene 123.45
    chlorobenzene 110.63
    dimethyl carbonate 59.44
    n-octane 97.72
    formamide 51.2
    cyclopentanone 369.85
    2-pentanone 224.02
    anisole 154.21
    cyclopentyl methyl ether 339.41
    gamma-butyrolactone 301.07
    1-methoxy-2-propanol 449.12
    pyridine 166.55
    3-pentanone 184.41
    furfural 236.27
    n-dodecane 69.28
    diethylene glycol 397.16
    diisopropyl ether 173.53
    tert-amyl alcohol 629.43
    acetylacetone 179.92
    n-hexadecane 73.03
    acetophenone 127.98
    methyl propionate 168.25
    isopentyl acetate 283.63
    trichloroethylene 259.42
    n-nonanol 336.54
    cyclohexanol 411.88
    benzyl alcohol 138.11
    2-ethylhexanol 487.57
    isooctanol 290.87
    dipropyl ether 388.35
    1,2-dichlorobenzene 118.41
    ethyl lactate 126.24
    propylene carbonate 196.18
    n-methylformamide 129.01
    2-pentanol 406.99
    n-pentane 207.14
    1-propoxy-2-propanol 597.49
    1-methoxy-2-propyl acetate 275.32
    2-(2-methoxypropoxy) propanol 349.53
    mesitylene 97.1
    ε-caprolactone 296.52
    p-cymene 127.44
    epichlorohydrin 249.76
    1,1,1-trichloroethane 253.75
    2-aminoethanol 286.32
    morpholine-4-carbaldehyde 332.31
    sulfolane 361.7
    2,2,4-trimethylpentane 119.18
    2-methyltetrahydrofuran 453.81
    n-hexyl acetate 361.24
    isooctane 101.14
    2-(2-butoxyethoxy)ethanol 419.93
    sec-butyl acetate 124.66
    tert-butyl acetate 236.85
    decalin 106.99
    glycerin 347.02
    diglyme 498.68
    acrylic acid 180.61
    isopropyl myristate 172.77
    n-butyric acid 321.8
    acetyl acetate 106.25
    di(2-ethylhexyl) phthalate 147.63
    ethyl propionate 133.27
    nitromethane 161.48
    1,2-diethoxyethane 239.91
    benzonitrile 136.68
    trioctyl phosphate 141.79
    1-bromopropane 219.23
    gamma-valerolactone 378.33
    n-decanol 257.23
    triethyl phosphate 113.91
    4-methyl-2-pentanol 294.39
    propionitrile 208.89
    vinylene carbonate 146.9
    1,1,2-trichlorotrifluoroethane 287.57
    DMS 149.41
    cumene 98.2
    2-octanol 264.01
    2-hexanone 203.04
    octyl acetate 208.71
    limonene 229.09
    1,2-dimethoxyethane 373.82
    ethyl orthosilicate 127.24
    tributyl phosphate 148.08
    diacetone alcohol 309.87
    N,N-dimethylaniline 143.77
    acrylonitrile 162.43
    aniline 146.89
    1,3-propanediol 307.5
    bromobenzene 109.88
    dibromomethane 224.97
    1,1,2,2-tetrachloroethane 318.72
    2-methyl-cyclohexyl acetate 227.44
    tetrabutyl urea 181.47
    diisobutyl methanol 277.23
    2-phenylethanol 233.21
    styrene 90.13
    dioctyl adipate 184.47
    dimethyl sulfate 93.7
    ethyl butyrate 179.36
    methyl lactate 157.26
    butyl lactate 206.57
    diethyl carbonate 112.11
    propanediol butyl ether 430.35
    triethyl orthoformate 172.42
    p-tert-butyltoluene 143.01
    methyl 4-tert-butylbenzoate 227.86
    morpholine 402.64
    tert-butylamine 578.34
    n-dodecanol 209.51
    dimethoxymethane 195.97
    ethylene carbonate 133.0
    cyrene 209.36
    2-ethoxyethyl acetate 166.75
    2-ethylhexyl acetate 234.06
    1,2,4-trichlorobenzene 148.69
    4-methylpyridine 186.58
    dibutyl ether 311.48
    2,6-dimethyl-4-heptanol 277.23
    DEF 212.87
    dimethyl isosorbide 389.69
    tetrachloroethylene 211.4
    eugenol 217.13
    triacetin 234.32
    span 80 419.65
    1,4-butanediol 160.49
    1,1-dichloroethane 241.91
    2-methyl-1-pentanol 284.26
    methyl formate 87.26
    2-methyl-1-butanol 394.77
    n-decane 118.03
    butyronitrile 235.15
    3,7-dimethyl-1-octanol 391.77
    1-chlorooctane 227.46
    1-chlorotetradecane 101.54
    n-nonane 131.1
    undecane 86.25
    tert-butylcyclohexane 145.08
    cyclooctane 90.39
    cyclopentanol 405.96
    tetrahydropyran 427.46
    tert-amyl methyl ether 387.44
    2,5,8-trioxanonane 394.02
    1-hexene 397.65
    2-isopropoxyethanol 237.33
    2,2,2-trifluoroethanol 74.62
    methyl butyrate 163.32

    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