Ethylhexanediol

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  • Identifiers

    CAS number
    29656-68-6

    Molecular formula
    C8H18O2

    SMILES
    CCCCCC(CC)(O)O

  • Odor profile

    Fragrance
    Oily 53.45%
    Green 49.65%
    Fruity 45.08%
    Sweet 42.84%
    Herbal 38.98%
    Floral 38.73%
    Musty 38.19%
    Fatty 36.35%
    Earthy 35.64%
    Fresh 35.26%

     

    Flavor
    Sweet 48.39%
    Green 45.39%
    Fruity 45.2%
    Woody 40.21%
    Herbal 34.93%
    Bitter 32.31%
    Oily 30.14%
    Musty 30.07%
    Alcoholic 28.7%
    Earthy 28.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    10.15 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    206°C

    Flash point

    • 104.26 ˚C est.

  • Synonyms

    • ETHYLHEXANEDIOL
    • octane-3,3-diol
    • 29656-68-6
    • Hexanediol, ethyl-
    • EINECS 249-754-4
    • SCHEMBL120873
    • DTXSID30865503
    • AZJXQVRPBZSNFN-UHFFFAOYSA-N
    • NS00120300

  • Applications

    Ethylhexanediol, CAS 29656-68-6, is primarily used as a solvent and plasticizing/processing aid in coatings, inks, and adhesives, and can function as a reactive diluent and viscosity modifier in UV-curable systems; in cosmetics and personal care it serves as a humectant and solvent for fragrances and other active ingredients; as a diol polyol it is used as an intermediate in the production of polyesters and polyurethanes or as a chain extender in polymer formulations; in plastics processing it can act as a plasticizer and processing aid to improve flexibility and handling; it may also be used in cleaning formulations as a solvent or viscosity modifier.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3826.47
    methanol 4468.42
    isopropanol 3432.03
    water 6.88
    ethyl acetate 745.73
    n-propanol 2705.2
    acetone 1352.3
    n-butanol 2405.44
    acetonitrile 723.25
    DMF 1425.03
    toluene 186.3
    isobutanol 1887.79
    1,4-dioxane 2077.65
    methyl acetate 557.19
    THF 2987.07
    2-butanone 811.04
    n-pentanol 1472.05
    sec-butanol 2147.85
    n-hexane 501.84
    ethylene glycol 560.71
    NMP 901.02
    cyclohexane 424.52
    DMSO 1575.74
    n-butyl acetate 818.58
    n-octanol 762.62
    chloroform 1163.58
    n-propyl acetate 535.08
    acetic acid 1164.21
    dichloromethane 775.49
    cyclohexanone 1226.01
    propylene glycol 1003.77
    isopropyl acetate 563.75
    DMAc 842.78
    2-ethoxyethanol 1275.93
    isopentanol 1775.0
    n-heptane 297.69
    ethyl formate 568.26
    1,2-dichloroethane 506.43
    n-hexanol 1728.93
    2-methoxyethanol 2315.49
    isobutyl acetate 376.32
    tetrachloromethane 256.55
    n-pentyl acetate 526.53
    transcutol 1989.55
    n-heptanol 826.15
    ethylbenzene 156.58
    MIBK 546.37
    2-propoxyethanol 1710.32
    tert-butanol 3038.5
    MTBE 1471.76
    2-butoxyethanol 997.37
    propionic acid 1018.27
    o-xylene 154.04
    formic acid 470.55
    diethyl ether 1408.75
    m-xylene 161.3
    p-xylene 217.77
    chlorobenzene 243.26
    dimethyl carbonate 140.11
    n-octane 101.98
    formamide 459.36
    cyclopentanone 1204.4
    2-pentanone 872.48
    anisole 323.26
    cyclopentyl methyl ether 990.02
    gamma-butyrolactone 1100.05
    1-methoxy-2-propanol 1778.12
    pyridine 701.16
    3-pentanone 422.16
    furfural 727.49
    n-dodecane 69.51
    diethylene glycol 1052.44
    diisopropyl ether 406.75
    tert-amyl alcohol 1905.2
    acetylacetone 590.57
    n-hexadecane 74.38
    acetophenone 259.91
    methyl propionate 454.26
    isopentyl acetate 689.84
    trichloroethylene 668.46
    n-nonanol 614.81
    cyclohexanol 1413.6
    benzyl alcohol 338.09
    2-ethylhexanol 814.26
    isooctanol 591.68
    dipropyl ether 894.27
    1,2-dichlorobenzene 208.9
    ethyl lactate 266.39
    propylene carbonate 562.71
    n-methylformamide 779.59
    2-pentanol 1513.05
    n-pentane 402.7
    1-propoxy-2-propanol 1226.41
    1-methoxy-2-propyl acetate 533.24
    2-(2-methoxypropoxy) propanol 545.95
    mesitylene 132.21
    ε-caprolactone 948.36
    p-cymene 146.5
    epichlorohydrin 948.45
    1,1,1-trichloroethane 514.66
    2-aminoethanol 1390.61
    morpholine-4-carbaldehyde 1120.57
    sulfolane 1068.44
    2,2,4-trimethylpentane 136.5
    2-methyltetrahydrofuran 1789.23
    n-hexyl acetate 712.25
    isooctane 113.57
    2-(2-butoxyethoxy)ethanol 906.38
    sec-butyl acetate 377.95
    tert-butyl acetate 604.68
    decalin 128.67
    glycerin 1001.64
    diglyme 1296.69
    acrylic acid 588.19
    isopropyl myristate 270.47
    n-butyric acid 1604.57
    acetyl acetate 316.79
    di(2-ethylhexyl) phthalate 233.69
    ethyl propionate 393.34
    nitromethane 949.91
    1,2-diethoxyethane 780.84
    benzonitrile 386.52
    trioctyl phosphate 230.47
    1-bromopropane 619.32
    gamma-valerolactone 1431.44
    n-decanol 421.45
    triethyl phosphate 185.24
    4-methyl-2-pentanol 738.21
    propionitrile 856.29
    vinylene carbonate 446.23
    1,1,2-trichlorotrifluoroethane 757.84
    DMS 258.02
    cumene 135.23
    2-octanol 551.99
    2-hexanone 690.15
    octyl acetate 342.83
    limonene 286.04
    1,2-dimethoxyethane 1772.81
    ethyl orthosilicate 212.27
    tributyl phosphate 241.65
    diacetone alcohol 751.58
    N,N-dimethylaniline 252.72
    acrylonitrile 638.58
    aniline 402.7
    1,3-propanediol 1807.99
    bromobenzene 209.14
    dibromomethane 625.79
    1,1,2,2-tetrachloroethane 759.54
    2-methyl-cyclohexyl acetate 369.06
    tetrabutyl urea 295.68
    diisobutyl methanol 392.46
    2-phenylethanol 416.08
    styrene 177.89
    dioctyl adipate 321.73
    dimethyl sulfate 214.5
    ethyl butyrate 493.1
    methyl lactate 326.17
    butyl lactate 430.78
    diethyl carbonate 255.48
    propanediol butyl ether 867.21
    triethyl orthoformate 360.32
    p-tert-butyltoluene 154.77
    methyl 4-tert-butylbenzoate 350.27
    morpholine 2460.75
    tert-butylamine 2180.31
    n-dodecanol 310.67
    dimethoxymethane 934.25
    ethylene carbonate 460.05
    cyrene 392.19
    2-ethoxyethyl acetate 452.92
    2-ethylhexyl acetate 510.17
    1,2,4-trichlorobenzene 236.09
    4-methylpyridine 655.39
    dibutyl ether 665.1
    2,6-dimethyl-4-heptanol 392.46
    DEF 780.32
    dimethyl isosorbide 677.37
    tetrachloroethylene 552.78
    eugenol 346.13
    triacetin 407.29
    span 80 674.13
    1,4-butanediol 705.99
    1,1-dichloroethane 712.23
    2-methyl-1-pentanol 991.88
    methyl formate 438.16
    2-methyl-1-butanol 1378.17
    n-decane 131.59
    butyronitrile 1180.78
    3,7-dimethyl-1-octanol 590.13
    1-chlorooctane 337.29
    1-chlorotetradecane 123.52
    n-nonane 140.61
    undecane 90.77
    tert-butylcyclohexane 143.21
    cyclooctane 112.78
    cyclopentanol 1639.99
    tetrahydropyran 2187.91
    tert-amyl methyl ether 855.65
    2,5,8-trioxanonane 861.83
    1-hexene 975.34
    2-isopropoxyethanol 852.77
    2,2,2-trifluoroethanol 270.32
    methyl butyrate 614.49

    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