2,5-Dimethyl-2,5-hexanediol

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  • Identifiers

    CAS number
    110-03-2

    Molecular formula
    C8H18O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 52.62%
    Camphoreous 49.5%
    Fresh 48.99%
    Woody 43.87%
    Mint 43.85%
    Herbal 39.39%
    Earthy 35.42%
    Pine 34.37%
    Citrus 31.92%
    Green 31.8%

     

    Flavor
    Pungent 45.07%
    Oily 34.6%
    Green 34.27%
    Floral 30.08%
    Lily 28.56%
    Mild 25.98%
    Earthy 24.6%
    Sweet 23.08%
    Woody 21.05%
    Citrus 20.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    11.04 (strong base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 92 °C

    Boiling point

    • 118 °C @ 15 MM HG

    Flash point

    • 95.41 ˚C est.

    Solubility expt.

    • SOL IN WATER; VERY SOL IN ALCOHOL, HOT BENZENE, CHLOROFORM
    • SOL IN ACETONE; INSOL IN CARBON TETRACHLORIDE, KEROSENE

  • Synonyms

    • 2,5-DIMETHYL-2,5-HEXANEDIOL
    • 110-03-2
    • 2,5-Dimethylhexane-2,5-diol
    • 2,5-Hexanediol, 2,5-dimethyl-
    • Dimethylhexanediol
    • 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE
    • UNII-3PNB2S8721
    • DTXSID0026830
    • HSDB 5395
    • NSC 5595
    • NSC-5595
    • EINECS 203-731-5
    • AI3-20685
    • DTXCID106830
    • EC 203-731-5
    • 2,5-DIMETHYL-2,5-HEXANEDIOL [HSDB]
    • RefChem:82936
    • 2,5Dimethylhexane2,5diol
    • 2,5Hexanediol, 2,5dimethyl
    • 1,1,4,4Tetramethyl1,4butanediol
    • ZWNMRZQYWRLGMM-UHFFFAOYSA-N
    • 1,1,4,4-Tetramethyl-1,4-butanediol
    • MFCD00004473
    • 2,5-dimethyl-hexane-2,5-diol
    • 3PNB2S8721
    • NSC5595
    • SCHEMBL37987
    • MLS001055396
    • orb3021409
    • SCHEMBL1116189
    • CHEMBL1476371
    • SCHEMBL27997252
    • HMS3039I04
    • STR04292
    • Tox21_200281
    • 1,4,4-Tetramethyl-1,4-butanediol
    • STK067727
    • AKOS008967365
    • 2,5-Dimethyl-2,5-hexanediol, 97%
    • FD04241
    • MSK161485-100M
    • MSK161485-1000M
    • NCGC00090935-01
    • NCGC00090935-02
    • NCGC00257835-01
    • CAS-110-03-2
    • SMR000677933
    • DB-059962
    • CS-0015308
    • D1167
    • NS00009676
    • ST45021350
    • EN300-51669
    • F225165
    • Q8487586
    • Z57147150
    • 2,5-Dimethyl-2,5-hexanediol, purum, >=97.0% (GC)
    • 2,5-Dimethyl-2,5-hexanediol Solution in Methanol, 1000ug/mL
    • 2,5-Dimethyl-2,5-hexanediol Solution in Methanol, 100ug/mL
    • 110-03-2

  • Applications

    2,5-Dimethyl-2,5-hexanediol (CAS 110-03-2) is a diol-based building block used primarily in polymer chemistry and specialty plastics. In polymer manufacturing it often serves as a chain extender or crosslinking agent for polyurethanes and polyesters. It is also employed as a processing aid and reactive solvent in coatings, inks, and related formulations. In industrial production it appears as an intermediate for the synthesis of specialty chemicals and high-performance materials. Additionally, it may be used as a fragrance or flavor intermediate or as an odor carrier in perfumery and flavor applications, and can function as a solvent or humectant-like component in cosmetics or cleaning formulations, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.42
    methanol 193.16
    isopropanol 132.85
    water 13.02
    ethyl acetate 62.99
    n-propanol 112.81
    acetone 93.49
    n-butanol 97.81
    acetonitrile 53.18
    DMF 224.93
    toluene 23.8
    isobutanol 90.91
    1,4-dioxane 95.19
    methyl acetate 84.5
    THF 187.35
    2-butanone 96.01
    n-pentanol 65.16
    sec-butanol 114.6
    n-hexane 26.96
    ethylene glycol 89.03
    NMP 186.24
    cyclohexane 16.63
    DMSO 127.84
    n-butyl acetate 67.53
    n-octanol 97.17
    chloroform 151.47
    n-propyl acetate 44.51
    acetic acid 80.09
    dichloromethane 80.01
    cyclohexanone 107.36
    propylene glycol 150.66
    isopropyl acetate 54.25
    DMAc 259.69
    2-ethoxyethanol 95.67
    isopentanol 80.04
    n-heptane 26.78
    ethyl formate 59.47
    1,2-dichloroethane 47.5
    n-hexanol 129.17
    2-methoxyethanol 179.74
    isobutyl acetate 42.51
    tetrachloromethane 49.68
    n-pentyl acetate 53.91
    transcutol 162.03
    n-heptanol 82.97
    ethylbenzene 29.29
    MIBK 57.3
    2-propoxyethanol 181.45
    tert-butanol 165.93
    MTBE 99.07
    2-butoxyethanol 121.4
    propionic acid 107.15
    o-xylene 31.22
    formic acid 58.02
    diethyl ether 55.28
    m-xylene 28.37
    p-xylene 40.14
    chlorobenzene 31.78
    dimethyl carbonate 46.51
    n-octane 15.44
    formamide 50.98
    cyclopentanone 152.66
    2-pentanone 70.68
    anisole 61.55
    cyclopentyl methyl ether 83.22
    gamma-butyrolactone 151.33
    1-methoxy-2-propanol 173.0
    pyridine 55.19
    3-pentanone 60.42
    furfural 133.39
    n-dodecane 14.71
    diethylene glycol 145.57
    diisopropyl ether 29.22
    tert-amyl alcohol 142.21
    acetylacetone 76.1
    n-hexadecane 15.17
    acetophenone 64.19
    methyl propionate 73.54
    isopentyl acetate 74.69
    trichloroethylene 91.92
    n-nonanol 85.49
    cyclohexanol 83.28
    benzyl alcohol 52.63
    2-ethylhexanol 82.46
    isooctanol 65.47
    dipropyl ether 68.83
    1,2-dichlorobenzene 40.2
    ethyl lactate 69.65
    propylene carbonate 104.42
    n-methylformamide 110.01
    2-pentanol 77.02
    n-pentane 18.78
    1-propoxy-2-propanol 153.15
    1-methoxy-2-propyl acetate 103.05
    2-(2-methoxypropoxy) propanol 125.29
    mesitylene 22.95
    ε-caprolactone 103.5
    p-cymene 37.72
    epichlorohydrin 101.36
    1,1,1-trichloroethane 72.21
    2-aminoethanol 128.65
    morpholine-4-carbaldehyde 190.68
    sulfolane 194.27
    2,2,4-trimethylpentane 16.99
    2-methyltetrahydrofuran 116.1
    n-hexyl acetate 95.65
    isooctane 12.5
    2-(2-butoxyethoxy)ethanol 132.44
    sec-butyl acetate 40.47
    tert-butyl acetate 70.53
    decalin 17.05
    glycerin 184.93
    diglyme 187.0
    acrylic acid 89.25
    isopropyl myristate 50.54
    n-butyric acid 100.56
    acetyl acetate 45.2
    di(2-ethylhexyl) phthalate 54.19
    ethyl propionate 52.34
    nitromethane 99.2
    1,2-diethoxyethane 55.64
    benzonitrile 50.82
    trioctyl phosphate 48.49
    1-bromopropane 45.66
    gamma-valerolactone 177.88
    n-decanol 67.81
    triethyl phosphate 52.09
    4-methyl-2-pentanol 58.29
    propionitrile 74.91
    vinylene carbonate 86.64
    1,1,2-trichlorotrifluoroethane 159.43
    DMS 65.1
    cumene 31.66
    2-octanol 62.11
    2-hexanone 58.68
    octyl acetate 65.97
    limonene 47.94
    1,2-dimethoxyethane 146.09
    ethyl orthosilicate 50.12
    tributyl phosphate 50.75
    diacetone alcohol 111.36
    N,N-dimethylaniline 62.91
    acrylonitrile 77.23
    aniline 44.08
    1,3-propanediol 116.42
    bromobenzene 27.61
    dibromomethane 62.26
    1,1,2,2-tetrachloroethane 116.61
    2-methyl-cyclohexyl acetate 73.43
    tetrabutyl urea 72.62
    diisobutyl methanol 54.98
    2-phenylethanol 73.8
    styrene 26.03
    dioctyl adipate 61.87
    dimethyl sulfate 79.82
    ethyl butyrate 59.62
    methyl lactate 101.13
    butyl lactate 76.8
    diethyl carbonate 47.09
    propanediol butyl ether 146.2
    triethyl orthoformate 57.92
    p-tert-butyltoluene 42.03
    methyl 4-tert-butylbenzoate 95.85
    morpholine 121.83
    tert-butylamine 107.91
    n-dodecanol 55.15
    dimethoxymethane 111.51
    ethylene carbonate 71.26
    cyrene 113.52
    2-ethoxyethyl acetate 56.73
    2-ethylhexyl acetate 63.05
    1,2,4-trichlorobenzene 52.26
    4-methylpyridine 63.62
    dibutyl ether 58.65
    2,6-dimethyl-4-heptanol 54.98
    DEF 92.39
    dimethyl isosorbide 166.45
    tetrachloroethylene 77.75
    eugenol 102.14
    triacetin 90.57
    span 80 130.38
    1,4-butanediol 58.0
    1,1-dichloroethane 68.95
    2-methyl-1-pentanol 58.17
    methyl formate 84.57
    2-methyl-1-butanol 82.33
    n-decane 22.76
    butyronitrile 62.21
    3,7-dimethyl-1-octanol 86.44
    1-chlorooctane 52.19
    1-chlorotetradecane 25.35
    n-nonane 22.45
    undecane 17.91
    tert-butylcyclohexane 21.99
    cyclooctane 10.42
    cyclopentanol 109.88
    tetrahydropyran 89.91
    tert-amyl methyl ether 89.55
    2,5,8-trioxanonane 145.84
    1-hexene 48.77
    2-isopropoxyethanol 75.99
    2,2,2-trifluoroethanol 55.82
    methyl butyrate 66.34

    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