3-Methyl-2-butanol

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  • Identifiers

    CAS number
    598-75-4

    Molecular formula
    C5H12O

    SMILES
    CC(C)C(C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1161.0

  • Odor profile

    Fruity 83.47%
    Fermented 79.95%
    Ethereal 77.06%
    Alcoholic 72.38%
    Solvent 61.63%
    Winey 49.15%
    Oily 47.68%
    Green 46.09%
    Pungent 44.7%
    Cocoa 44.04%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    88.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 112.00 to 114.00 °C. @ 760.00 mm Hg

    Flash point est.
    25.21 ˚C

    Solubility expt.

    • 56 mg/mL at 25 °C

  • Synonyms

    • 3-METHYL-2-BUTANOL
    • 598-75-4
    • 3-Methylbutan-2-ol
    • sec-Isoamyl alcohol
    • 2-Methyl-3-butanol
    • 2-Butanol, 3-methyl-
    • Methylisopropylcarbinol
    • Isopropylmethylcarbinol
    • 1,2-Dimethylpropanol
    • DL-3-Methyl-2-butanol
    • 1,2-Dimethyl-1-propanol
    • (CH3)2CHCH(OH)CH3
    • FEMA No. 3703
    • 3-Methyl-butan-2-ol
    • NSC 71162
    • (+/-)-3-Methyl-2-butanol
    • CHEBI:77517
    • 93FF0F303R
    • Isopropyl methyl carbinol
    • EINECS 209-950-2
    • MFCD00004527
    • NSC-71162
    • 1,2-dimethylpropyl alcohol
    • DTXSID20862268
    • 2-Butanol, 3-methyl-, (S)-
    • 3-METHYL-2-BUTANOL [MI]
    • 3-METHYL-2-BUTANOL [FHFI]
    • (+/-)-2-METHYL-3-BUTANOL
    • 3-METHYL-2-BUTANOL, (+/-)-
    • (r)-3-methyl-2-butanol
    • UNII-93FF0F303R
    • 2Methyl3butanol
    • 3Methylbutan2ol
    • MFCD00064271
    • MFCD00065949
    • secIsoamyl alcohol
    • NSC71162
    • secIsopentyl alcohol
    • 2Butanol, 3methyl
    • 1,2Dimethylpropanol
    • 1,2Dimethyl1propanol
    • 3-Methyl butan-2-ol
    • 1,2-dimethylpropan-1-ol
    • (s)-3-methyl-2-butanol
    • Butan-2-ol, 3-methyl-
    • (+)-3-Methyl-2-butanol
    • (?)-3-Methyl-2-butanol
    • 3-Methyl-(S)-2-Butanol
    • 3-Methyl-2-butanol, 98%
    • CHEMBL443470
    • FEMA 3703
    • DTXCID30811060
    • (.+/-.)-3-Methyl-2-butanol
    • BAA51766
    • BAA57293
    • BCP29487
    • AKOS000249588
    • DL-3-Methyl-2-butanol, >=98%, FG
    • SY047377
    • SY262115
    • M0171
    • NS00043800
    • Dl-3-Methyl-2-Butanol; 3-Methylbutan-2-ol
    • EN300-60902
    • 3-Methyl-2-butanol, purum, >=98.0% (GC)
    • Q4634173
    • 209-950-2

  • Applications

    DL-3-Methyl-2-butanol (CAS 598-75-4) is a branched secondary alcohol with a mild odor that finds wide application in organic synthesis, pharmaceuticals and flavor technology: it is esterified to create banana-, apple- and pear-like notes for food and beverages; employed as a hydrophobic solvent for nitrocellulose, acrylic and alkyd resins to enhance gloss and shorten drying time of coatings; used as a liquid-liquid extraction carrier for antibiotics, alkaloids and rare-earth metals; serves as an intermediate in the preparation of anesthetic and sedative agents through its action on GABA-A receptors; functions as a co-blowing and pour-point-depressing additive in biofuels; acts as an internal standard in GC/MS and as a micro-environment modulator for enzymes; and further serves as a building block for surfactants, plasticizers and next-generation electrolytes, meeting the efficiency, safety and environmental compatibility demands of modern green chemistry processes.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 573.72
    methanol 527.9
    isopropanol 498.65
    water 13.68
    ethyl acetate 176.17
    n-propanol 480.84
    acetone 171.19
    n-butanol 478.8
    acetonitrile 211.48
    DMF 152.57
    toluene 45.11
    isobutanol 330.68
    1,4-dioxane 280.6
    methyl acetate 182.86
    THF 415.83
    2-butanone 187.44
    n-pentanol 276.55
    sec-butanol 474.28
    n-hexane 82.55
    ethylene glycol 157.62
    NMP 194.43
    cyclohexane 60.07
    DMSO 155.87
    n-butyl acetate 181.11
    n-octanol 192.05
    chloroform 446.51
    n-propyl acetate 107.08
    acetic acid 408.34
    dichloromethane 252.37
    cyclohexanone 216.16
    propylene glycol 284.63
    isopropyl acetate 108.4
    DMAc 168.87
    2-ethoxyethanol 262.11
    isopentanol 334.68
    n-heptane 81.59
    ethyl formate 131.62
    1,2-dichloroethane 128.8
    n-hexanol 387.81
    2-methoxyethanol 439.25
    isobutyl acetate 72.92
    tetrachloromethane 154.11
    n-pentyl acetate 128.8
    transcutol 609.12
    n-heptanol 231.73
    ethylbenzene 37.5
    MIBK 90.57
    2-propoxyethanol 377.27
    tert-butanol 572.77
    MTBE 247.21
    2-butoxyethanol 294.11
    propionic acid 366.78
    o-xylene 46.87
    formic acid 170.72
    diethyl ether 201.03
    m-xylene 40.32
    p-xylene 55.07
    chlorobenzene 79.07
    dimethyl carbonate 33.15
    n-octane 29.58
    formamide 167.24
    cyclopentanone 256.42
    2-pentanone 139.79
    anisole 79.71
    cyclopentyl methyl ether 173.95
    gamma-butyrolactone 264.25
    1-methoxy-2-propanol 353.98
    pyridine 177.84
    3-pentanone 104.53
    furfural 217.18
    n-dodecane 18.65
    diethylene glycol 273.03
    diisopropyl ether 72.6
    tert-amyl alcohol 500.12
    acetylacetone 103.94
    n-hexadecane 19.15
    acetophenone 73.25
    methyl propionate 118.19
    isopentyl acetate 151.92
    trichloroethylene 240.74
    n-nonanol 166.06
    cyclohexanol 259.38
    benzyl alcohol 99.8
    2-ethylhexanol 227.94
    isooctanol 177.0
    dipropyl ether 164.15
    1,2-dichlorobenzene 74.52
    ethyl lactate 82.09
    propylene carbonate 160.13
    n-methylformamide 160.62
    2-pentanol 317.25
    n-pentane 77.14
    1-propoxy-2-propanol 317.9
    1-methoxy-2-propyl acetate 134.05
    2-(2-methoxypropoxy) propanol 189.39
    mesitylene 29.97
    ε-caprolactone 218.68
    p-cymene 50.53
    epichlorohydrin 221.21
    1,1,1-trichloroethane 197.35
    2-aminoethanol 353.33
    morpholine-4-carbaldehyde 213.86
    sulfolane 234.08
    2,2,4-trimethylpentane 46.62
    2-methyltetrahydrofuran 335.29
    n-hexyl acetate 179.51
    isooctane 29.57
    2-(2-butoxyethoxy)ethanol 290.26
    sec-butyl acetate 82.26
    tert-butyl acetate 123.68
    decalin 29.89
    glycerin 288.18
    diglyme 353.63
    acrylic acid 268.62
    isopropyl myristate 72.15
    n-butyric acid 441.19
    acetyl acetate 89.68
    di(2-ethylhexyl) phthalate 71.01
    ethyl propionate 90.79
    nitromethane 258.94
    1,2-diethoxyethane 169.5
    benzonitrile 107.83
    trioctyl phosphate 63.72
    1-bromopropane 136.77
    gamma-valerolactone 279.0
    n-decanol 118.78
    triethyl phosphate 60.43
    4-methyl-2-pentanol 170.03
    propionitrile 217.27
    vinylene carbonate 123.83
    1,1,2-trichlorotrifluoroethane 271.55
    DMS 71.66
    cumene 38.52
    2-octanol 156.72
    2-hexanone 120.9
    octyl acetate 97.28
    limonene 83.35
    1,2-dimethoxyethane 252.79
    ethyl orthosilicate 67.98
    tributyl phosphate 65.7
    diacetone alcohol 199.48
    N,N-dimethylaniline 61.24
    acrylonitrile 194.9
    aniline 124.73
    1,3-propanediol 405.5
    bromobenzene 62.48
    dibromomethane 198.12
    1,1,2,2-tetrachloroethane 247.81
    2-methyl-cyclohexyl acetate 108.06
    tetrabutyl urea 67.19
    diisobutyl methanol 119.57
    2-phenylethanol 123.24
    styrene 42.2
    dioctyl adipate 87.06
    dimethyl sulfate 49.01
    ethyl butyrate 127.99
    methyl lactate 100.86
    butyl lactate 130.99
    diethyl carbonate 74.59
    propanediol butyl ether 256.07
    triethyl orthoformate 103.43
    p-tert-butyltoluene 51.41
    methyl 4-tert-butylbenzoate 116.52
    morpholine 365.33
    tert-butylamine 400.53
    n-dodecanol 86.72
    dimethoxymethane 96.34
    ethylene carbonate 113.48
    cyrene 115.98
    2-ethoxyethyl acetate 127.65
    2-ethylhexyl acetate 119.55
    1,2,4-trichlorobenzene 90.41
    4-methylpyridine 143.41
    dibutyl ether 139.39
    2,6-dimethyl-4-heptanol 119.57
    DEF 134.53
    dimethyl isosorbide 202.93
    tetrachloroethylene 205.29
    eugenol 127.77
    triacetin 129.67
    span 80 222.55
    1,4-butanediol 158.31
    1,1-dichloroethane 192.59
    2-methyl-1-pentanol 238.14
    methyl formate 96.02
    2-methyl-1-butanol 328.8
    n-decane 33.87
    butyronitrile 245.73
    3,7-dimethyl-1-octanol 176.74
    1-chlorooctane 85.13
    1-chlorotetradecane 34.1
    n-nonane 35.31
    undecane 24.08
    tert-butylcyclohexane 39.35
    cyclooctane 23.96
    cyclopentanol 312.56
    tetrahydropyran 299.29
    tert-amyl methyl ether 189.28
    2,5,8-trioxanonane 229.59
    1-hexene 156.85
    2-isopropoxyethanol 203.4
    2,2,2-trifluoroethanol 155.85
    methyl butyrate 124.11

    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
Lime (Persian) 3 90063-52-8 Citrus latifolia Tanaka, fam. Rutaceae 0.04%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.1%
Styrax (China) 8024-01-9 Liquidamber formosana Hance, fam. Hamamelidaceae 0.57%
Baga fruit Annona glabra L., fam. Annonaceae 0.4%