(2R)-4-methylpentan-2-ol

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  • Identifiers

    CAS number
    16404-54-9

    Molecular formula
    C6H14O

    SMILES
    C[C@H](CC(C)C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 86.28%
    Fermented 77.92%
    Alcoholic 77.71%
    Ethereal 65.65%
    Fruity 63.07%
    Oily 60.34%
    Winey 53.39%
    Solvent 52.35%
    Pungent 51.27%
    Cocoa 49.13%

     

    Flavor
    Fruity 39.46%
    Green 35.12%
    Oily 34.97%
    Fermented 33.04%
    Ethereal 32.68%
    Fresh 29.68%
    Mild 29.18%
    Fishy 26.45%
    Bitter 26.31%
    Tropical 25.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.66 (weak base)

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    131°C

    Flash point

    • 36.53 ˚C est.

  • Synonyms

    • (2R)-4-methylpentan-2-ol
    • RefChem:397388
    • 624-275-7
    • 16404-54-9
    • (R)-4-Methylpentan-2-ol
    • (R)-(-)-4-Methyl-2-pentanol
    • 2-Pentanol, 4-methyl-, (2R)-
    • (R)-4-Methyl-2-pentanol
    • MFCD03093077
    • (R)-(-)-4-Methylpentan-2-ol
    • (2R)-4-methyl-2-pentanol
    • 4-methyl (r)-2-pentanol
    • (r)-(-)-methylpentan-2-ol
    • SCHEMBL1090210
    • 2-Pentanol,4-methyl-,(2R)-
    • WVYWICLMDOOCFB-ZCFIWIBFSA-N
    • AKOS006341992
    • AS-59602
    • D97159
    • EN300-1841931
    • A810530
    • (R)-(-)-4-Methyl-2-pentanol, 97%, optical purity99% (ee) (GLC)
    • 16404-54-9

  • Applications

    (2R)-4-methylpentan-2-ol (CAS 16404-54-9) is a chiral secondary aliphatic alcohol that is primarily used as an intermediate in organic synthesis for building blocks in pharmaceutical and agrochemical research. It is often employed as a solvent or processing aid in industrial manufacturing, depending on formulation. In the fragrance and flavor sectors, it can function as a fragrance ingredient or odorant precursor and as a chiral building block for stereoselective synthesis of aroma compounds. In cleaning formulations, it may act as a solvent or co-solvent to improve solvency and drying characteristics. In coatings and inks, it can serve as a co-solvent to tailor viscosity and evaporation behavior.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1566.81
    methanol 2108.68
    isopropanol 1085.0
    water 12.07
    ethyl acetate 317.24
    n-propanol 1111.99
    acetone 507.6
    n-butanol 1068.47
    acetonitrile 373.27
    DMF 274.32
    toluene 91.3
    isobutanol 762.49
    1,4-dioxane 786.13
    methyl acetate 313.41
    THF 1356.44
    2-butanone 393.91
    n-pentanol 543.59
    sec-butanol 897.92
    n-hexane 384.87
    ethylene glycol 380.06
    NMP 484.52
    cyclohexane 305.52
    DMSO 370.95
    n-butyl acetate 576.46
    n-octanol 480.11
    chloroform 572.87
    n-propyl acetate 230.87
    acetic acid 994.47
    dichloromethane 349.66
    cyclohexanone 645.79
    propylene glycol 527.84
    isopropyl acetate 221.92
    DMAc 237.78
    2-ethoxyethanol 445.61
    isopentanol 703.09
    n-heptane 424.52
    ethyl formate 238.88
    1,2-dichloroethane 221.63
    n-hexanol 1405.01
    2-methoxyethanol 853.54
    isobutyl acetate 178.45
    tetrachloromethane 192.59
    n-pentyl acetate 277.15
    transcutol 1074.21
    n-heptanol 505.39
    ethylbenzene 64.1
    MIBK 221.87
    2-propoxyethanol 1138.19
    tert-butanol 1109.59
    MTBE 631.64
    2-butoxyethanol 534.14
    propionic acid 684.04
    o-xylene 82.64
    formic acid 402.06
    diethyl ether 547.26
    m-xylene 91.23
    p-xylene 92.93
    chlorobenzene 140.7
    dimethyl carbonate 61.01
    n-octane 95.28
    formamide 201.54
    cyclopentanone 624.0
    2-pentanone 350.34
    anisole 127.82
    cyclopentyl methyl ether 566.93
    gamma-butyrolactone 633.3
    1-methoxy-2-propanol 560.1
    pyridine 283.26
    3-pentanone 247.88
    furfural 396.91
    n-dodecane 60.04
    diethylene glycol 660.57
    diisopropyl ether 214.85
    tert-amyl alcohol 850.91
    acetylacetone 235.03
    n-hexadecane 63.34
    acetophenone 115.37
    methyl propionate 224.55
    isopentyl acetate 469.12
    trichloroethylene 351.64
    n-nonanol 381.88
    cyclohexanol 818.84
    benzyl alcohol 144.88
    2-ethylhexanol 711.87
    isooctanol 344.87
    dipropyl ether 627.43
    1,2-dichlorobenzene 133.17
    ethyl lactate 123.6
    propylene carbonate 358.02
    n-methylformamide 260.15
    2-pentanol 672.16
    n-pentane 325.68
    1-propoxy-2-propanol 907.86
    1-methoxy-2-propyl acetate 349.29
    2-(2-methoxypropoxy) propanol 323.87
    mesitylene 72.18
    ε-caprolactone 570.82
    p-cymene 120.61
    epichlorohydrin 459.41
    1,1,1-trichloroethane 288.95
    2-aminoethanol 659.91
    morpholine-4-carbaldehyde 469.73
    sulfolane 604.86
    2,2,4-trimethylpentane 124.79
    2-methyltetrahydrofuran 998.91
    n-hexyl acetate 470.99
    isooctane 98.42
    2-(2-butoxyethoxy)ethanol 519.73
    sec-butyl acetate 164.02
    tert-butyl acetate 284.64
    decalin 96.61
    glycerin 540.35
    diglyme 622.13
    acrylic acid 430.01
    isopropyl myristate 174.06
    n-butyric acid 818.39
    acetyl acetate 186.15
    di(2-ethylhexyl) phthalate 148.09
    ethyl propionate 174.94
    nitromethane 476.78
    1,2-diethoxyethane 378.88
    benzonitrile 168.76
    trioctyl phosphate 143.97
    1-bromopropane 275.23
    gamma-valerolactone 680.0
    n-decanol 277.05
    triethyl phosphate 114.35
    4-methyl-2-pentanol 335.95
    propionitrile 346.07
    vinylene carbonate 251.6
    1,1,2-trichlorotrifluoroethane 421.51
    DMS 160.25
    cumene 67.08
    2-octanol 316.27
    2-hexanone 309.3
    octyl acetate 231.1
    limonene 271.21
    1,2-dimethoxyethane 522.41
    ethyl orthosilicate 131.51
    tributyl phosphate 164.87
    diacetone alcohol 361.36
    N,N-dimethylaniline 94.37
    acrylonitrile 250.03
    aniline 178.67
    1,3-propanediol 764.85
    bromobenzene 113.48
    dibromomethane 320.87
    1,1,2,2-tetrachloroethane 358.38
    2-methyl-cyclohexyl acetate 265.84
    tetrabutyl urea 189.07
    diisobutyl methanol 324.17
    2-phenylethanol 276.23
    styrene 67.25
    dioctyl adipate 195.25
    dimethyl sulfate 80.71
    ethyl butyrate 295.62
    methyl lactate 152.4
    butyl lactate 250.9
    diethyl carbonate 149.32
    propanediol butyl ether 482.17
    triethyl orthoformate 223.94
    p-tert-butyltoluene 121.77
    methyl 4-tert-butylbenzoate 203.37
    morpholine 903.62
    tert-butylamine 826.77
    n-dodecanol 207.07
    dimethoxymethane 231.45
    ethylene carbonate 250.23
    cyrene 209.11
    2-ethoxyethyl acetate 249.29
    2-ethylhexyl acetate 377.81
    1,2,4-trichlorobenzene 160.21
    4-methylpyridine 255.06
    dibutyl ether 394.67
    2,6-dimethyl-4-heptanol 324.17
    DEF 280.62
    dimethyl isosorbide 440.79
    tetrachloroethylene 298.53
    eugenol 204.66
    triacetin 234.06
    span 80 424.76
    1,4-butanediol 281.19
    1,1-dichloroethane 282.99
    2-methyl-1-pentanol 409.33
    methyl formate 179.05
    2-methyl-1-butanol 706.34
    n-decane 106.83
    butyronitrile 434.52
    3,7-dimethyl-1-octanol 405.73
    1-chlorooctane 245.86
    1-chlorotetradecane 98.87
    n-nonane 120.66
    undecane 76.06
    tert-butylcyclohexane 125.63
    cyclooctane 108.11
    cyclopentanol 830.03
    tetrahydropyran 1006.13
    tert-amyl methyl ether 458.78
    2,5,8-trioxanonane 431.63
    1-hexene 507.72
    2-isopropoxyethanol 324.52
    2,2,2-trifluoroethanol 234.08
    methyl butyrate 236.37

    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