2,3,4-Trimethylpentan-2-ol

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  • Identifiers

    CAS number
    66576-26-9

    Molecular formula
    C8H18O

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

  • Odor profile

    Fragrance
    Fruity 66.95%
    Camphoreous 51.45%
    Mint 44.2%
    Woody 43.59%
    Fresh 42.94%
    Earthy 41.39%
    Herbal 39.82%
    Floral 38.58%
    Ethereal 37.16%
    Citrus 36.81%

     

    Flavor
    Green 47.05%
    Lily 33.34%
    Floral 32.62%
    Woody 30.41%
    Pungent 28.46%
    Oily 28.44%
    Mild 28.05%
    Citrus 27.75%
    Fresh 24.1%
    Waxy 23.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    10.63 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    160°C

    Flash point

    • 48.94 ˚C est.

  • Synonyms

    • 2,3,4-trimethylpentan-2-ol
    • 66576-26-9
    • 2,3,4-TRIMETHYL-2-PENTANOL
    • 2-Pentanol,2,3,4-trimethyl-
    • 2-Pentanol, 2,3,4-trimethyl-
    • SCHEMBL1245043
    • DTXSID70985173
    • AKOS006277004
    • SB83832
    • NS00121436
    • D90064

  • Applications

    2,3,4-Trimethylpentan-2-ol (CAS 66576-26-9) is used primarily as a solvent and chemical intermediate in industrial synthesis; it may serve as a process solvent and a building block for the production of polymers and plastics, and is sometimes considered for fragrance or light-solvent roles in perfumery and cosmetics; in coatings, inks, and adhesives, it can function as a solvent or performance modifier; in the field of polymers and plastics, it may act as a precursor for polymer synthesis; and it may be evaluated for cleaning formulations and other process aids in industrial applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1094.37
    methanol 1248.83
    isopropanol 1041.32
    water 5.53
    ethyl acetate 651.96
    n-propanol 989.78
    acetone 581.89
    n-butanol 1049.69
    acetonitrile 537.5
    DMF 423.36
    toluene 322.01
    isobutanol 816.89
    1,4-dioxane 1308.29
    methyl acetate 547.28
    THF 1999.05
    2-butanone 667.6
    n-pentanol 603.23
    sec-butanol 1035.45
    n-hexane 855.32
    ethylene glycol 159.43
    NMP 757.58
    cyclohexane 663.97
    DMSO 367.42
    n-butyl acetate 822.3
    n-octanol 675.56
    chloroform 1301.23
    n-propyl acetate 379.63
    acetic acid 585.31
    dichloromethane 823.9
    cyclohexanone 1011.5
    propylene glycol 288.57
    isopropyl acetate 459.85
    DMAc 470.11
    2-ethoxyethanol 475.87
    isopentanol 837.98
    n-heptane 709.39
    ethyl formate 347.5
    1,2-dichloroethane 504.25
    n-hexanol 1543.37
    2-methoxyethanol 797.73
    isobutyl acetate 307.29
    tetrachloromethane 462.81
    n-pentyl acetate 531.31
    transcutol 1314.64
    n-heptanol 663.53
    ethylbenzene 239.16
    MIBK 374.21
    2-propoxyethanol 1122.95
    tert-butanol 1336.94
    MTBE 1273.86
    2-butoxyethanol 663.61
    propionic acid 584.06
    o-xylene 271.25
    formic acid 192.06
    diethyl ether 1068.22
    m-xylene 273.02
    p-xylene 335.36
    chlorobenzene 389.29
    dimethyl carbonate 125.1
    n-octane 219.07
    formamide 166.32
    cyclopentanone 918.24
    2-pentanone 560.32
    anisole 323.93
    cyclopentyl methyl ether 999.11
    gamma-butyrolactone 962.75
    1-methoxy-2-propanol 664.59
    pyridine 530.4
    3-pentanone 464.37
    furfural 558.03
    n-dodecane 121.02
    diethylene glycol 576.05
    diisopropyl ether 482.75
    tert-amyl alcohol 1245.45
    acetylacetone 409.95
    n-hexadecane 132.39
    acetophenone 268.71
    methyl propionate 427.08
    isopentyl acetate 689.02
    trichloroethylene 764.32
    n-nonanol 561.69
    cyclohexanol 1007.44
    benzyl alcohol 252.27
    2-ethylhexanol 925.12
    isooctanol 497.18
    dipropyl ether 952.22
    1,2-dichlorobenzene 336.37
    ethyl lactate 191.86
    propylene carbonate 558.76
    n-methylformamide 301.62
    2-pentanol 837.6
    n-pentane 601.08
    1-propoxy-2-propanol 961.63
    1-methoxy-2-propyl acetate 541.86
    2-(2-methoxypropoxy) propanol 445.4
    mesitylene 214.28
    ε-caprolactone 881.03
    p-cymene 273.95
    epichlorohydrin 774.93
    1,1,1-trichloroethane 782.98
    2-aminoethanol 400.81
    morpholine-4-carbaldehyde 693.06
    sulfolane 832.6
    2,2,4-trimethylpentane 274.16
    2-methyltetrahydrofuran 1602.13
    n-hexyl acetate 819.32
    isooctane 211.95
    2-(2-butoxyethoxy)ethanol 648.95
    sec-butyl acetate 333.86
    tert-butyl acetate 549.57
    decalin 280.8
    glycerin 306.04
    diglyme 895.16
    acrylic acid 352.14
    isopropyl myristate 316.31
    n-butyric acid 852.12
    acetyl acetate 349.8
    di(2-ethylhexyl) phthalate 214.28
    ethyl propionate 362.21
    nitromethane 491.5
    1,2-diethoxyethane 669.54
    benzonitrile 317.52
    trioctyl phosphate 211.69
    1-bromopropane 683.63
    gamma-valerolactone 951.44
    n-decanol 400.56
    triethyl phosphate 228.3
    4-methyl-2-pentanol 479.2
    propionitrile 563.51
    vinylene carbonate 391.26
    1,1,2-trichlorotrifluoroethane 527.18
    DMS 307.78
    cumene 218.64
    2-octanol 498.64
    2-hexanone 499.48
    octyl acetate 393.06
    limonene 498.53
    1,2-dimethoxyethane 744.8
    ethyl orthosilicate 257.26
    tributyl phosphate 238.35
    diacetone alcohol 515.25
    N,N-dimethylaniline 264.26
    acrylonitrile 412.9
    aniline 375.19
    1,3-propanediol 532.47
    bromobenzene 378.2
    dibromomethane 741.15
    1,1,2,2-tetrachloroethane 782.65
    2-methyl-cyclohexyl acetate 466.26
    tetrabutyl urea 282.56
    diisobutyl methanol 474.61
    2-phenylethanol 430.42
    styrene 234.2
    dioctyl adipate 313.75
    dimethyl sulfate 175.7
    ethyl butyrate 501.83
    methyl lactate 211.39
    butyl lactate 361.94
    diethyl carbonate 296.92
    propanediol butyl ether 548.29
    triethyl orthoformate 405.73
    p-tert-butyltoluene 289.24
    methyl 4-tert-butylbenzoate 378.89
    morpholine 1369.8
    tert-butylamine 1118.97
    n-dodecanol 299.96
    dimethoxymethane 396.76
    ethylene carbonate 403.84
    cyrene 302.84
    2-ethoxyethyl acetate 446.94
    2-ethylhexyl acetate 627.07
    1,2,4-trichlorobenzene 384.7
    4-methylpyridine 552.46
    dibutyl ether 750.49
    2,6-dimethyl-4-heptanol 474.61
    DEF 497.38
    dimethyl isosorbide 633.81
    tetrachloroethylene 580.25
    eugenol 305.62
    triacetin 395.31
    span 80 515.33
    1,4-butanediol 214.94
    1,1-dichloroethane 708.53
    2-methyl-1-pentanol 560.9
    methyl formate 224.01
    2-methyl-1-butanol 864.24
    n-decane 233.12
    butyronitrile 670.62
    3,7-dimethyl-1-octanol 601.76
    1-chlorooctane 468.85
    1-chlorotetradecane 189.18
    n-nonane 263.1
    undecane 160.62
    tert-butylcyclohexane 335.72
    cyclooctane 277.08
    cyclopentanol 947.96
    tetrahydropyran 1603.83
    tert-amyl methyl ether 955.56
    2,5,8-trioxanonane 585.82
    1-hexene 977.16
    2-isopropoxyethanol 412.69
    2,2,2-trifluoroethanol 212.02
    methyl butyrate 426.29

    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