1-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanol

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  • Identifiers

    CAS number
    68959-25-1

    Molecular formula
    C10H22O3

    SMILES
    CC(C)C(C(C)(C)COCCO)O

    Safety labels

  • Odor profile

    Fragrance
    Alcoholic 39.25%
    Woody 37.17%
    Odorless 31.65%
    Mint 30.74%
    Fermented 27.57%
    Camphoreous 26.97%
    Ethereal 24.66%
    Cooling 23.75%
    Dry 23.4%
    Sweet 23.09%

     

    Flavor
    Fruity 45.56%
    Sweet 34.85%
    Green 32.34%
    Bitter 31.37%
    Tropical 26.91%
    Mild 23.99%
    Oily 23.91%
    Herbal 23.03%
    Alcoholic 22.83%
    Grape skin 22.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.76 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    275°C

    Flash point

    • 124.52 ˚C est.

  • Synonyms

    • 3-Pentanol, 1-(2-hydroxyethoxy)-2,2,4-trimethyl-
    • 68959-25-1
    • 1-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanol
    • EINECS 273-409-7
    • UNII-88UQ7Z52MZ
    • 88UQ7Z52MZ
    • DTXSID5041489
    • RefChem:74168
    • DTXCID3021489
    • 273-409-7
    • 1-(2-Hydroxyethoxy)-2,2,4-trimethylpentan-3-ol
    • SCHEMBL2454510
    • IDKLTESMXSAQGI-UHFFFAOYSA-N
    • NS00036782
    • Q27269956
    • 68959-25-1

  • Applications

    Applications for 1-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanol (CAS 68959-25-1) are centered on its role as a solvent and specialty chemical intermediate across multiple industries. It can function as a solvent or co-solvent in coatings, inks, and cleaning formulations, and may act as a plasticizer or formulation additive in polymers and protective coatings. It is often evaluated as an intermediate in the synthesis of specialty chemicals and engineered materials. In cosmetics and personal care, it may serve as a solvent or humectant, helping solubilize actives and improve formulation texture. In fragrance and household products, it may be used to dissolve fragrance ingredients or to adjust formulation properties, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1611.39
    methanol 2586.09
    isopropanol 1048.77
    water 39.04
    ethyl acetate 349.67
    n-propanol 1128.94
    acetone 367.58
    n-butanol 958.18
    acetonitrile 265.54
    DMF 528.72
    toluene 81.09
    isobutanol 756.9
    1,4-dioxane 855.42
    methyl acetate 315.33
    THF 1012.83
    2-butanone 293.79
    n-pentanol 447.01
    sec-butanol 731.38
    n-hexane 37.43
    ethylene glycol 571.15
    NMP 435.23
    cyclohexane 86.55
    DMSO 565.46
    n-butyl acetate 329.5
    n-octanol 213.92
    chloroform 736.23
    n-propyl acetate 238.31
    acetic acid 1608.48
    dichloromethane 502.92
    cyclohexanone 528.91
    propylene glycol 614.93
    isopropyl acetate 246.48
    DMAc 362.04
    2-ethoxyethanol 766.16
    isopentanol 635.54
    n-heptane 48.04
    ethyl formate 403.98
    1,2-dichloroethane 280.94
    n-hexanol 603.22
    2-methoxyethanol 1407.75
    isobutyl acetate 181.72
    tetrachloromethane 184.4
    n-pentyl acetate 191.84
    transcutol 1136.29
    n-heptanol 287.44
    ethylbenzene 58.12
    MIBK 203.52
    2-propoxyethanol 782.19
    tert-butanol 1126.29
    MTBE 535.43
    2-butoxyethanol 485.18
    propionic acid 740.31
    o-xylene 83.72
    formic acid 1029.97
    diethyl ether 385.97
    m-xylene 86.27
    p-xylene 87.92
    chlorobenzene 135.87
    dimethyl carbonate 98.82
    n-octane 16.3
    formamide 622.94
    cyclopentanone 481.0
    2-pentanone 278.64
    anisole 151.51
    cyclopentyl methyl ether 386.35
    gamma-butyrolactone 618.52
    1-methoxy-2-propanol 776.04
    pyridine 285.35
    3-pentanone 163.55
    furfural 528.23
    n-dodecane 11.15
    diethylene glycol 696.05
    diisopropyl ether 118.97
    tert-amyl alcohol 764.04
    acetylacetone 258.79
    n-hexadecane 12.1
    acetophenone 158.75
    methyl propionate 218.53
    isopentyl acetate 311.02
    trichloroethylene 586.39
    n-nonanol 171.55
    cyclohexanol 625.95
    benzyl alcohol 198.22
    2-ethylhexanol 299.41
    isooctanol 216.94
    dipropyl ether 220.23
    1,2-dichlorobenzene 149.78
    ethyl lactate 172.05
    propylene carbonate 403.33
    n-methylformamide 515.14
    2-pentanol 495.76
    n-pentane 53.18
    1-propoxy-2-propanol 555.89
    1-methoxy-2-propyl acetate 307.84
    2-(2-methoxypropoxy) propanol 267.23
    mesitylene 66.88
    ε-caprolactone 505.48
    p-cymene 79.26
    epichlorohydrin 596.91
    1,1,1-trichloroethane 304.34
    2-aminoethanol 969.86
    morpholine-4-carbaldehyde 618.36
    sulfolane 612.7
    2,2,4-trimethylpentane 45.05
    2-methyltetrahydrofuran 638.86
    n-hexyl acetate 259.92
    isooctane 31.74
    2-(2-butoxyethoxy)ethanol 418.93
    sec-butyl acetate 167.57
    tert-butyl acetate 306.16
    decalin 34.29
    glycerin 745.99
    diglyme 721.71
    acrylic acid 534.07
    isopropyl myristate 85.45
    n-butyric acid 936.8
    acetyl acetate 231.01
    di(2-ethylhexyl) phthalate 109.91
    ethyl propionate 169.17
    nitromethane 910.39
    1,2-diethoxyethane 271.18
    benzonitrile 188.96
    trioctyl phosphate 97.54
    1-bromopropane 199.19
    gamma-valerolactone 745.9
    n-decanol 114.27
    triethyl phosphate 114.4
    4-methyl-2-pentanol 265.05
    propionitrile 274.5
    vinylene carbonate 352.87
    1,1,2-trichlorotrifluoroethane 740.85
    DMS 143.54
    cumene 58.96
    2-octanol 151.14
    2-hexanone 193.0
    octyl acetate 119.66
    limonene 133.71
    1,2-dimethoxyethane 723.74
    ethyl orthosilicate 127.52
    tributyl phosphate 102.64
    diacetone alcohol 399.9
    N,N-dimethylaniline 115.18
    acrylonitrile 259.28
    aniline 188.35
    1,3-propanediol 1231.13
    bromobenzene 117.04
    dibromomethane 340.56
    1,1,2,2-tetrachloroethane 541.01
    2-methyl-cyclohexyl acetate 215.78
    tetrabutyl urea 109.65
    diisobutyl methanol 160.98
    2-phenylethanol 226.57
    styrene 61.98
    dioctyl adipate 134.31
    dimethyl sulfate 165.98
    ethyl butyrate 215.75
    methyl lactate 200.15
    butyl lactate 213.45
    diethyl carbonate 146.54
    propanediol butyl ether 397.19
    triethyl orthoformate 200.48
    p-tert-butyltoluene 84.25
    methyl 4-tert-butylbenzoate 200.74
    morpholine 1012.81
    tert-butylamine 655.39
    n-dodecanol 82.42
    dimethoxymethane 366.72
    ethylene carbonate 328.0
    cyrene 261.11
    2-ethoxyethyl acetate 224.93
    2-ethylhexyl acetate 224.82
    1,2,4-trichlorobenzene 193.47
    4-methylpyridine 250.04
    dibutyl ether 135.73
    2,6-dimethyl-4-heptanol 160.98
    DEF 292.13
    dimethyl isosorbide 379.75
    tetrachloroethylene 456.76
    eugenol 193.21
    triacetin 211.71
    span 80 275.91
    1,4-butanediol 453.15
    1,1-dichloroethane 304.63
    2-methyl-1-pentanol 340.08
    methyl formate 414.23
    2-methyl-1-butanol 593.88
    n-decane 20.78
    butyronitrile 347.46
    3,7-dimethyl-1-octanol 189.1
    1-chlorooctane 85.63
    1-chlorotetradecane 29.11
    n-nonane 21.33
    undecane 14.09
    tert-butylcyclohexane 38.09
    cyclooctane 29.33
    cyclopentanol 644.48
    tetrahydropyran 722.23
    tert-amyl methyl ether 344.39
    2,5,8-trioxanonane 428.01
    1-hexene 101.21
    2-isopropoxyethanol 456.3
    2,2,2-trifluoroethanol 531.58
    methyl butyrate 265.21

    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