2-Methylpentan-2-ol

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  • Identifiers

    CAS number
    590-36-3

    Molecular formula
    C6H14O

    SMILES
    CCCC(C)(C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1160.0

  • Odor profile

    Fermented 67.59%
    Camphoreous 63.95%
    Ethereal 61.7%
    Solvent 60.62%
    Alcoholic 60.37%
    Mint 54.21%
    Pungent 45.08%
    Musty 44.08%
    Herbal 36.73%
    Fresh 35.25%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    122°C

    Flash point est.
    27.87 ˚C

  • Synonyms

    • 2-METHYL-2-PENTANOL
    • 2-Methylpentan-2-ol
    • 590-36-3
    • 2-Pentanol, 2-methyl-
    • 2-Hydroxy-2-methylpentane
    • 1,1-Dimethylbutanol
    • 2-Methyl-2-hydroxypentane
    • UNII-HU2SO831KP
    • HU2SO831KP
    • Methyl-2 pentanol-2
    • Dimethyl propyl carbinol
    • NSC 8686
    • NSC-8686
    • EINECS 209-681-0
    • 1,1-dimethyl-1-butanol
    • UN2560
    • 4-METHYL-4-PENTANOL
    • DTXSID4060440
    • 2-METHYL-2-AMYL ALCOHOL
    • 4-HYDROXY-4-METHYLPENTANE
    • UN 2560
    • DIMETHYLPROPYLCARBINOL
    • 2Metil2pentanol
    • 2Methylpentan2ol
    • Methyl2pentanol2
    • 2Pentanol, 2methyl
    • 2Hydroxy2methylpentane
    • 2-methyl-pentan-2-ol
    • SCHEMBL12496
    • 2-Methyl-2-pentanol, 99%
    • 2-Methylpentan-2-ol [UN2560] [Flammable liquid]
    • CHEMBL450417
    • 2Metil2pentanol (Spanish DOT)
    • Methyl2pentanol2 (French DOT)
    • DTXCID7042514
    • NSC8686
    • MFCD00004485
    • AKOS009156538
    • DB-360270
    • M1178
    • NS00021232
    • EN300-61549
    • D91458
    • Q3278296
    • Z449374450
    • 209-681-0

  • Applications

    2-Methylpentan-2-ol (tert-amyl alcohol, CAS 590-36-3) is used widely as a polar protic solvent for resins, coatings, inks, and adhesives; a coalescing aid for waterborne latex systems; a synthetic intermediate to produce tert-amyl esters (e.g., acetate, butyrate) and ethers such as TAME for gasoline oxygenation and octane improvement, as well as tert-amyl halides and other derivatives for pharmaceutical and agrochemical manufacture; a flotation frother in mineral processing of sulfide ores and coal to enhance selectivity and froth stability; a laboratory and process solvent/reagent for extraction, solvent exchange, and azeotrope breaking, sometimes serving as a phase modifier in solvent-extraction formulations; a precursor to tert-amyl peroxides or hydroperoxides used as polymerization initiators; a blending component in certain specialty fuels; and, historically, a sedative/hypnotic now obsolete, while also contributing indirectly to flavors and fragrances via fruity tert-amyl ester derivatives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1567.89
    methanol 2018.47
    isopropanol 1264.19
    water 26.22
    ethyl acetate 434.47
    n-propanol 1245.36
    acetone 520.57
    n-butanol 1323.4
    acetonitrile 382.76
    DMF 433.25
    toluene 165.83
    isobutanol 905.83
    1,4-dioxane 903.87
    methyl acetate 413.24
    THF 1280.93
    2-butanone 521.65
    n-pentanol 729.77
    sec-butanol 1220.27
    n-hexane 715.18
    ethylene glycol 438.08
    NMP 621.17
    cyclohexane 470.98
    DMSO 349.45
    n-butyl acetate 592.6
    n-octanol 744.34
    chloroform 822.13
    n-propyl acetate 275.84
    acetic acid 829.37
    dichloromethane 471.67
    cyclohexanone 703.25
    propylene glycol 667.1
    isopropyl acetate 300.65
    DMAc 452.88
    2-ethoxyethanol 601.55
    isopentanol 941.42
    n-heptane 663.62
    ethyl formate 289.24
    1,2-dichloroethane 283.66
    n-hexanol 1784.5
    2-methoxyethanol 1080.78
    isobutyl acetate 218.64
    tetrachloromethane 296.59
    n-pentyl acetate 371.54
    transcutol 1408.27
    n-heptanol 718.09
    ethylbenzene 124.02
    MIBK 293.27
    2-propoxyethanol 1370.93
    tert-butanol 1364.16
    MTBE 930.66
    2-butoxyethanol 712.28
    propionic acid 736.9
    o-xylene 157.71
    formic acid 404.36
    diethyl ether 860.03
    m-xylene 157.11
    p-xylene 169.64
    chlorobenzene 185.99
    dimethyl carbonate 94.77
    n-octane 186.67
    formamide 223.21
    cyclopentanone 599.2
    2-pentanone 439.04
    anisole 216.14
    cyclopentyl methyl ether 680.3
    gamma-butyrolactone 553.16
    1-methoxy-2-propanol 815.76
    pyridine 320.37
    3-pentanone 361.11
    furfural 398.82
    n-dodecane 112.42
    diethylene glycol 815.29
    diisopropyl ether 347.46
    tert-amyl alcohol 1300.35
    acetylacetone 276.66
    n-hexadecane 115.18
    acetophenone 170.31
    methyl propionate 324.1
    isopentyl acetate 479.29
    trichloroethylene 421.81
    n-nonanol 612.59
    cyclohexanol 1012.05
    benzyl alcohol 215.53
    2-ethylhexanol 934.59
    isooctanol 491.33
    dipropyl ether 775.01
    1,2-dichlorobenzene 172.2
    ethyl lactate 186.23
    propylene carbonate 364.08
    n-methylformamide 317.7
    2-pentanol 912.12
    n-pentane 592.68
    1-propoxy-2-propanol 1095.01
    1-methoxy-2-propyl acetate 425.84
    2-(2-methoxypropoxy) propanol 485.61
    mesitylene 122.77
    ε-caprolactone 663.33
    p-cymene 166.88
    epichlorohydrin 467.9
    1,1,1-trichloroethane 410.22
    2-aminoethanol 801.03
    morpholine-4-carbaldehyde 624.08
    sulfolane 495.71
    2,2,4-trimethylpentane 238.97
    2-methyltetrahydrofuran 1043.04
    n-hexyl acetate 654.64
    isooctane 169.02
    2-(2-butoxyethoxy)ethanol 711.66
    sec-butyl acetate 223.69
    tert-butyl acetate 373.24
    decalin 173.52
    glycerin 697.82
    diglyme 838.53
    acrylic acid 448.37
    isopropyl myristate 256.79
    n-butyric acid 880.53
    acetyl acetate 229.52
    di(2-ethylhexyl) phthalate 197.54
    ethyl propionate 247.72
    nitromethane 440.37
    1,2-diethoxyethane 530.22
    benzonitrile 208.45
    trioctyl phosphate 190.27
    1-bromopropane 426.57
    gamma-valerolactone 704.27
    n-decanol 435.39
    triethyl phosphate 152.07
    4-methyl-2-pentanol 488.39
    propionitrile 436.68
    vinylene carbonate 258.16
    1,1,2-trichlorotrifluoroethane 507.93
    DMS 213.37
    cumene 118.03
    2-octanol 487.11
    2-hexanone 396.7
    octyl acetate 337.63
    limonene 352.68
    1,2-dimethoxyethane 740.26
    ethyl orthosilicate 179.57
    tributyl phosphate 211.37
    diacetone alcohol 456.03
    N,N-dimethylaniline 171.34
    acrylonitrile 298.82
    aniline 267.28
    1,3-propanediol 835.58
    bromobenzene 158.66
    dibromomethane 456.44
    1,1,2,2-tetrachloroethane 448.14
    2-methyl-cyclohexyl acetate 326.27
    tetrabutyl urea 252.8
    diisobutyl methanol 401.91
    2-phenylethanol 360.27
    styrene 124.04
    dioctyl adipate 269.53
    dimethyl sulfate 115.52
    ethyl butyrate 328.14
    methyl lactate 232.84
    butyl lactate 333.02
    diethyl carbonate 178.75
    propanediol butyl ether 731.02
    triethyl orthoformate 274.62
    p-tert-butyltoluene 175.92
    methyl 4-tert-butylbenzoate 286.41
    morpholine 1106.57
    tert-butylamine 1130.16
    n-dodecanol 329.94
    dimethoxymethane 349.9
    ethylene carbonate 270.3
    cyrene 287.04
    2-ethoxyethyl acetate 329.6
    2-ethylhexyl acetate 424.37
    1,2,4-trichlorobenzene 206.08
    4-methylpyridine 340.61
    dibutyl ether 595.42
    2,6-dimethyl-4-heptanol 401.91
    DEF 426.54
    dimethyl isosorbide 535.12
    tetrachloroethylene 358.76
    eugenol 277.76
    triacetin 330.09
    span 80 610.19
    1,4-butanediol 371.78
    1,1-dichloroethane 417.8
    2-methyl-1-pentanol 601.34
    methyl formate 215.34
    2-methyl-1-butanol 956.75
    n-decane 200.47
    butyronitrile 532.39
    3,7-dimethyl-1-octanol 599.17
    1-chlorooctane 365.24
    1-chlorotetradecane 156.85
    n-nonane 228.03
    undecane 142.24
    tert-butylcyclohexane 223.31
    cyclooctane 200.31
    cyclopentanol 901.49
    tetrahydropyran 1143.79
    tert-amyl methyl ether 728.79
    2,5,8-trioxanonane 601.36
    1-hexene 780.39
    2-isopropoxyethanol 476.99
    2,2,2-trifluoroethanol 239.93
    methyl butyrate 314.67

    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
Annual wormwood (Yugoslavia) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.05%