2,3,4-Trimethyl-3-pentanol

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  • Identifiers

    CAS number
    3054-92-0

    Molecular formula
    C8H18O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 46.11%
    Camphoreous 45.63%
    Fruity 44.19%
    Mint 40.99%
    Ethereal 37.65%
    Fresh 37.01%
    Fermented 36.23%
    Herbal 36.03%
    Woody 33.73%
    Earthy 33.18%

     

    Flavor
    Green 39.18%
    Fruity 34.19%
    Tropical 23.37%
    Yeasty 22.4%
    Mild 22.22%
    Oily 22.15%
    Catty 21.45%
    Fermented 21.27%
    Black currant 21.12%
    Citrus 20.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    10.89 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 78.00 °C. @ 46.00 mm Hg

    Flash point

    • 44.75 ˚C est.

    Solubility expt.

    • Soluble in heptane; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2,3,4-Trimethyl-3-pentanol
    • 3054-92-0
    • 2,3,4-trimethylpentan-3-ol
    • 3-Pentanol, 2,3,4-trimethyl-
    • 1,1-Diisopropylethanol
    • Diisopropylmethylcarbinol
    • FEMA No. 3903
    • UNII-E7OYT9FJ8F
    • E7OYT9FJ8F
    • 2,3,4-Trimethyl-3-pentanol [FHFI]
    • 2,3,4-Trimethyl-pentan-3-ol
    • MFCD00048319
    • DTXSID90184621
    • 1,1Diisopropylethanol
    • 2,3,4Trimethyl3pentanol
    • 3Pentanol, 2,3,4trimethyl
    • SCHEMBL1245809
    • DIISOPROPYLMETHYL CARBINOL
    • FEMA 3903
    • PLSMHHUFDLYURK-UHFFFAOYSA-
    • DTXCID30107112
    • DAA05492
    • AKOS009158351
    • SB85092
    • AS-75749
    • SY048963
    • DB-047801
    • D2436
    • EN300-243992
    • Q27276978
    • Z449374554
    • InChI=1/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3

  • Applications

    2,3,4-Trimethyl-3-pentanol (CAS 3054-92-0) is used primarily as an intermediate and solvent in fragrance and flavor chemistry, serving as a precursor for ester formation and as an odorant component in perfumery. It is also evaluated as a solvent or processing aid in cosmetics and personal care, household cleaning products, and industrial formulations, and can function as a reactive intermediate in polymers/plastics and in coatings/inks manufacturing. Additionally, it may be used as a specialty solvent or additive in adhesives and related industrial processes, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 707.01
    methanol 815.96
    isopropanol 632.91
    water 5.25
    ethyl acetate 472.03
    n-propanol 636.88
    acetone 403.97
    n-butanol 666.34
    acetonitrile 408.29
    DMF 414.49
    toluene 248.62
    isobutanol 511.0
    1,4-dioxane 868.28
    methyl acetate 423.21
    THF 1313.08
    2-butanone 472.86
    n-pentanol 435.38
    sec-butanol 637.21
    n-hexane 396.76
    ethylene glycol 104.73
    NMP 623.26
    cyclohexane 354.5
    DMSO 329.77
    n-butyl acetate 574.81
    n-octanol 401.4
    chloroform 1377.15
    n-propyl acetate 332.42
    acetic acid 405.13
    dichloromethane 938.34
    cyclohexanone 748.78
    propylene glycol 169.93
    isopropyl acetate 344.13
    DMAc 434.64
    2-ethoxyethanol 421.81
    isopentanol 565.71
    n-heptane 352.59
    ethyl formate 318.76
    1,2-dichloroethane 525.26
    n-hexanol 725.14
    2-methoxyethanol 589.0
    isobutyl acetate 249.93
    tetrachloromethane 561.2
    n-pentyl acetate 430.21
    transcutol 983.15
    n-heptanol 442.52
    ethylbenzene 210.94
    MIBK 276.66
    2-propoxyethanol 700.12
    tert-butanol 817.2
    MTBE 778.05
    2-butoxyethanol 512.2
    propionic acid 409.09
    o-xylene 237.86
    formic acid 152.96
    diethyl ether 662.03
    m-xylene 206.65
    p-xylene 324.5
    chlorobenzene 356.08
    dimethyl carbonate 106.44
    n-octane 138.51
    formamide 197.56
    cyclopentanone 776.99
    2-pentanone 386.82
    anisole 325.42
    cyclopentyl methyl ether 644.18
    gamma-butyrolactone 820.39
    1-methoxy-2-propanol 465.2
    pyridine 483.64
    3-pentanone 329.98
    furfural 600.2
    n-dodecane 73.08
    diethylene glycol 354.22
    diisopropyl ether 313.12
    tert-amyl alcohol 750.16
    acetylacetone 323.1
    n-hexadecane 81.0
    acetophenone 279.13
    methyl propionate 313.98
    isopentyl acetate 537.01
    trichloroethylene 807.28
    n-nonanol 359.04
    cyclohexanol 563.94
    benzyl alcohol 235.68
    2-ethylhexanol 523.86
    isooctanol 368.62
    dipropyl ether 619.78
    1,2-dichlorobenzene 380.71
    ethyl lactate 165.6
    propylene carbonate 503.55
    n-methylformamide 302.06
    2-pentanol 506.77
    n-pentane 289.68
    1-propoxy-2-propanol 578.09
    1-methoxy-2-propyl acetate 389.61
    2-(2-methoxypropoxy) propanol 349.81
    mesitylene 172.68
    ε-caprolactone 676.04
    p-cymene 242.36
    epichlorohydrin 710.63
    1,1,1-trichloroethane 782.19
    2-aminoethanol 275.69
    morpholine-4-carbaldehyde 594.95
    sulfolane 754.28
    2,2,4-trimethylpentane 161.06
    2-methyltetrahydrofuran 1033.33
    n-hexyl acetate 553.93
    isooctane 122.51
    2-(2-butoxyethoxy)ethanol 478.23
    sec-butyl acetate 280.75
    tert-butyl acetate 421.84
    decalin 187.12
    glycerin 184.58
    diglyme 754.63
    acrylic acid 277.27
    isopropyl myristate 242.88
    n-butyric acid 600.79
    acetyl acetate 287.5
    di(2-ethylhexyl) phthalate 185.07
    ethyl propionate 306.64
    nitromethane 439.29
    1,2-diethoxyethane 541.42
    benzonitrile 325.58
    trioctyl phosphate 166.81
    1-bromopropane 545.56
    gamma-valerolactone 826.95
    n-decanol 258.02
    triethyl phosphate 222.21
    4-methyl-2-pentanol 297.32
    propionitrile 448.43
    vinylene carbonate 411.62
    1,1,2-trichlorotrifluoroethane 488.26
    DMS 252.49
    cumene 196.4
    2-octanol 330.26
    2-hexanone 385.87
    octyl acetate 281.37
    limonene 362.07
    1,2-dimethoxyethane 695.41
    ethyl orthosilicate 250.08
    tributyl phosphate 193.01
    diacetone alcohol 364.05
    N,N-dimethylaniline 259.25
    acrylonitrile 392.98
    aniline 303.32
    1,3-propanediol 405.73
    bromobenzene 369.79
    dibromomethane 746.46
    1,1,2,2-tetrachloroethane 821.71
    2-methyl-cyclohexyl acetate 398.24
    tetrabutyl urea 212.34
    diisobutyl methanol 307.41
    2-phenylethanol 331.57
    styrene 216.97
    dioctyl adipate 271.71
    dimethyl sulfate 165.83
    ethyl butyrate 429.23
    methyl lactate 155.87
    butyl lactate 299.38
    diethyl carbonate 287.32
    propanediol butyl ether 369.16
    triethyl orthoformate 371.97
    p-tert-butyltoluene 255.37
    methyl 4-tert-butylbenzoate 348.16
    morpholine 872.37
    tert-butylamine 717.89
    n-dodecanol 192.49
    dimethoxymethane 331.44
    ethylene carbonate 385.11
    cyrene 274.05
    2-ethoxyethyl acetate 398.12
    2-ethylhexyl acetate 475.24
    1,2,4-trichlorobenzene 413.2
    4-methylpyridine 516.34
    dibutyl ether 474.38
    2,6-dimethyl-4-heptanol 307.41
    DEF 396.48
    dimethyl isosorbide 580.53
    tetrachloroethylene 684.52
    eugenol 287.16
    triacetin 323.54
    span 80 374.64
    1,4-butanediol 174.74
    1,1-dichloroethane 670.57
    2-methyl-1-pentanol 411.55
    methyl formate 224.53
    2-methyl-1-butanol 545.34
    n-decane 140.92
    butyronitrile 527.96
    3,7-dimethyl-1-octanol 392.15
    1-chlorooctane 313.24
    1-chlorotetradecane 132.4
    n-nonane 150.58
    undecane 97.25
    tert-butylcyclohexane 214.59
    cyclooctane 156.67
    cyclopentanol 618.07
    tetrahydropyran 908.54
    tert-amyl methyl ether 585.06
    2,5,8-trioxanonane 494.49
    1-hexene 529.23
    2-isopropoxyethanol 344.68
    2,2,2-trifluoroethanol 196.44
    methyl butyrate 380.8

    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