2,3-Dimethyl-2-butanol

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  • Identifiers

    CAS number
    594-60-5

    Molecular formula
    C6H14O

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Ethereal 68.64%
    Camphoreous 63.63%
    Fermented 62.28%
    Fruity 56.86%
    Mint 50.41%
    Solvent 49.55%
    Alcoholic 46.49%
    Fresh 41.81%
    Musty 37.69%
    Pungent 37.14%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    10.75 (weak base)

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point est.
    24.54 ˚C

  • Synonyms

    • 2,3-DIMETHYL-2-BUTANOL
    • 594-60-5
    • 2,3-Dimethylbutan-2-ol
    • Thexyl alcohol
    • Isopropyldimethylcarbinol
    • 2-Butanol, 2,3-dimethyl-
    • ZWE5U7S6W9
    • NSC-2312
    • 2,3-dimethyl-butan-2-ol
    • IKECULIHBUCAKR-UHFFFAOYSA-
    • DTXSID60208126
    • (CH3)2CHC(OH)(CH3)2
    • NSC2312
    • NSC 2312
    • EINECS 209-847-2
    • MFCD00004463
    • AI3-17876
    • UNII-ZWE5U7S6W9
    • SCHEMBL22975
    • DTXCID80130617
    • 2,3-Dimethyl-2-butanol, 98%
    • AKOS009156774
    • AS-87521
    • CS-0234265
    • NS00034173
    • EN300-140252
    • G77266

  • Applications

    2,3-Dimethyl-2-butanol (CAS 594-60-5) is a bulky tertiary alcohol used mainly as an intermediate in organic synthesis: (i) it dehydrates readily to 2,3-dimethyl-2-butene (tetramethylethylene), a highly substituted olefin employed in electrophilic additions, oxidation/ozonolysis, and mechanistic studies; (ii) it forms bulky alkali-metal alkoxides that act as strong, non-nucleophilic bases for E2 eliminations, enolate formation, and selective alkylations; (iii) it affords hindered ethers/esters with tunable acid/base lability, useful as protecting groups or leaving-group surrogates; (iv) it serves as a model substrate in physical organic chemistry to probe carbocation stability, solvolysis kinetics, and rearrangement pathways; it also sees niche use as a chain-transfer/initiating additive in cationic polymerizations, as a medium-boiling polar protic cosolvent for reactions tolerant of tertiary alcohols, and as a precursor to bespoke derivatives in fine chemicals, materials, and pharmaceutical research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 864.81
    methanol 905.14
    isopropanol 886.47
    water 22.47
    ethyl acetate 430.6
    n-propanol 730.79
    acetone 448.53
    n-butanol 685.07
    acetonitrile 461.12
    DMF 493.45
    toluene 152.46
    isobutanol 530.58
    1,4-dioxane 590.62
    methyl acetate 459.01
    THF 819.32
    2-butanone 460.47
    n-pentanol 413.68
    sec-butanol 798.36
    n-hexane 223.42
    ethylene glycol 250.57
    NMP 470.35
    cyclohexane 143.17
    DMSO 317.4
    n-butyl acetate 281.01
    n-octanol 370.64
    chloroform 998.75
    n-propyl acetate 209.68
    acetic acid 538.97
    dichloromethane 568.02
    cyclohexanone 421.37
    propylene glycol 481.88
    isopropyl acetate 293.57
    DMAc 536.61
    2-ethoxyethanol 422.33
    isopentanol 502.5
    n-heptane 183.48
    ethyl formate 250.51
    1,2-dichloroethane 294.11
    n-hexanol 624.43
    2-methoxyethanol 719.94
    isobutyl acetate 153.61
    tetrachloromethane 333.52
    n-pentyl acetate 243.02
    transcutol 895.37
    n-heptanol 379.69
    ethylbenzene 120.46
    MIBK 215.95
    2-propoxyethanol 651.48
    tert-butanol 997.08
    MTBE 589.81
    2-butoxyethanol 456.19
    propionic acid 553.81
    o-xylene 139.77
    formic acid 250.58
    diethyl ether 446.56
    m-xylene 126.32
    p-xylene 175.57
    chlorobenzene 193.52
    dimethyl carbonate 125.67
    n-octane 77.96
    formamide 300.44
    cyclopentanone 510.36
    2-pentanone 324.9
    anisole 226.79
    cyclopentyl methyl ether 380.52
    gamma-butyrolactone 511.43
    1-methoxy-2-propanol 658.23
    pyridine 340.19
    3-pentanone 271.31
    furfural 403.55
    n-dodecane 51.53
    diethylene glycol 440.46
    diisopropyl ether 194.72
    tert-amyl alcohol 904.28
    acetylacetone 286.89
    n-hexadecane 53.74
    acetophenone 185.35
    methyl propionate 320.82
    isopentyl acetate 258.92
    trichloroethylene 519.55
    n-nonanol 325.45
    cyclohexanol 442.47
    benzyl alcohol 202.16
    2-ethylhexanol 350.0
    isooctanol 295.15
    dipropyl ether 331.69
    1,2-dichlorobenzene 185.22
    ethyl lactate 162.85
    propylene carbonate 323.35
    n-methylformamide 394.18
    2-pentanol 552.2
    n-pentane 186.88
    1-propoxy-2-propanol 520.56
    1-methoxy-2-propyl acetate 279.93
    2-(2-methoxypropoxy) propanol 351.0
    mesitylene 98.34
    ε-caprolactone 399.39
    p-cymene 118.18
    epichlorohydrin 444.42
    1,1,1-trichloroethane 515.93
    2-aminoethanol 512.87
    morpholine-4-carbaldehyde 512.86
    sulfolane 459.83
    2,2,4-trimethylpentane 106.1
    2-methyltetrahydrofuran 608.5
    n-hexyl acetate 387.77
    isooctane 75.19
    2-(2-butoxyethoxy)ethanol 478.61
    sec-butyl acetate 185.55
    tert-butyl acetate 309.42
    decalin 87.27
    glycerin 431.3
    diglyme 626.78
    acrylic acid 404.12
    isopropyl myristate 166.41
    n-butyric acid 589.21
    acetyl acetate 252.96
    di(2-ethylhexyl) phthalate 138.97
    ethyl propionate 215.92
    nitromethane 513.41
    1,2-diethoxyethane 323.45
    benzonitrile 210.11
    trioctyl phosphate 122.55
    1-bromopropane 316.66
    gamma-valerolactone 552.66
    n-decanol 238.12
    triethyl phosphate 129.09
    4-methyl-2-pentanol 319.73
    propionitrile 440.48
    vinylene carbonate 261.72
    1,1,2-trichlorotrifluoroethane 504.29
    DMS 191.0
    cumene 110.41
    2-octanol 286.53
    2-hexanone 250.6
    octyl acetate 210.62
    limonene 174.15
    1,2-dimethoxyethane 497.02
    ethyl orthosilicate 140.26
    tributyl phosphate 129.34
    diacetone alcohol 394.51
    N,N-dimethylaniline 185.05
    acrylonitrile 398.48
    aniline 267.58
    1,3-propanediol 562.67
    bromobenzene 176.19
    dibromomethane 452.88
    1,1,2,2-tetrachloroethane 539.8
    2-methyl-cyclohexyl acetate 204.27
    tetrabutyl urea 144.34
    diisobutyl methanol 203.1
    2-phenylethanol 245.28
    styrene 125.3
    dioctyl adipate 184.38
    dimethyl sulfate 162.67
    ethyl butyrate 229.22
    methyl lactate 250.67
    butyl lactate 221.05
    diethyl carbonate 155.7
    propanediol butyl ether 435.67
    triethyl orthoformate 199.46
    p-tert-butyltoluene 130.77
    methyl 4-tert-butylbenzoate 265.93
    morpholine 711.95
    tert-butylamine 751.68
    n-dodecanol 176.76
    dimethoxymethane 302.18
    ethylene carbonate 233.49
    cyrene 231.47
    2-ethoxyethyl acetate 256.69
    2-ethylhexyl acetate 209.79
    1,2,4-trichlorobenzene 224.11
    4-methylpyridine 330.46
    dibutyl ether 289.18
    2,6-dimethyl-4-heptanol 203.1
    DEF 345.01
    dimethyl isosorbide 392.24
    tetrachloroethylene 388.6
    eugenol 243.7
    triacetin 283.21
    span 80 388.52
    1,4-butanediol 235.11
    1,1-dichloroethane 498.05
    2-methyl-1-pentanol 366.53
    methyl formate 245.33
    2-methyl-1-butanol 506.08
    n-decane 94.05
    butyronitrile 422.53
    3,7-dimethyl-1-octanol 319.28
    1-chlorooctane 207.34
    1-chlorotetradecane 90.26
    n-nonane 99.94
    undecane 66.57
    tert-butylcyclohexane 105.91
    cyclooctane 67.65
    cyclopentanol 527.33
    tetrahydropyran 556.83
    tert-amyl methyl ether 446.43
    2,5,8-trioxanonane 417.4
    1-hexene 336.28
    2-isopropoxyethanol 339.05
    2,2,2-trifluoroethanol 273.63
    methyl butyrate 254.74

    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

Botanical

Name CAS Botanical Proportion
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%