4-Methoxy-4-methyl-2-pentanol

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  • Identifiers

    CAS number
    141-73-1

    Molecular formula
    C7H16O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 63.41%
    Fruity 56.98%
    Ethereal 56.98%
    Fermented 55.13%
    Alcoholic 55.12%
    Floral 35.99%
    Fresh 34.67%
    Mint 31.56%
    Solvent 31.35%
    Earthy 31.03%

     

    Flavor
    Green 55.8%
    Fruity 42.58%
    Oily 37.43%
    Herbal 31.94%
    Earthy 31.71%
    Tropical 30.92%
    Sweet 28.7%
    Pungent 26.26%
    Floral 24.28%
    Bitter 23.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.64 (weak base)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    166°C

    Flash point

    • 50.63 ˚C est.

  • Synonyms

    • 4-Methoxy-4-methyl-2-pentanol
    • 141-73-1
    • Pent-Oxol Solvent
    • 2-Pentanol, 4-methoxy-4-methyl-
    • Pent-Oxol
    • BRN 1734421
    • 4-01-00-02566 (Beilstein Handbook Reference)
    • RefChem:99599
    • OMSLSFZIEVFEIH-UHFFFAOYSA-N
    • 4-methoxy-4-methylpentan-2-ol
    • MFCD00046654
    • 4-methoxy-4-methyl-pentan-2-ol
    • SCHEMBL401865
    • SCHEMBL6493456
    • DTXSID60930970
    • AKOS009272935
    • SB84558
    • AS-60731
    • DB-042581
    • CS-0446284
    • 141-73-1

  • Applications

    4-Methoxy-4-methyl-2-pentanol (CAS 141-73-1) is typically used as an intermediate in organic synthesis, primarily serving as a precursor for compounds in pharmaceutical and agrochemical applications; it is also evaluated as a fragrance or flavor component precursor in the perfumery and flavor industries; in cosmetics and personal care, it can function as an intermediate or formulation aid in specialized formulations; in industrial formulations it may be used as a specialty solvent or co-solvent for particular processes; and it serves as a potential building block for the synthesis of derivatives used in polymers/plastics or coatings/inks and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1307.1
    methanol 2045.18
    isopropanol 1225.16
    water 154.23
    ethyl acetate 425.18
    n-propanol 1144.18
    acetone 514.34
    n-butanol 951.59
    acetonitrile 461.6
    DMF 751.44
    toluene 194.64
    isobutanol 812.58
    1,4-dioxane 860.67
    methyl acetate 501.87
    THF 926.56
    2-butanone 462.64
    n-pentanol 500.91
    sec-butanol 1053.74
    n-hexane 209.91
    ethylene glycol 768.48
    NMP 674.68
    cyclohexane 223.18
    DMSO 450.06
    n-butyl acetate 226.07
    n-octanol 390.92
    chloroform 1052.84
    n-propyl acetate 184.45
    acetic acid 997.85
    dichloromethane 666.62
    cyclohexanone 615.16
    propylene glycol 1084.18
    isopropyl acetate 259.86
    DMAc 748.18
    2-ethoxyethanol 631.72
    isopentanol 597.16
    n-heptane 160.89
    ethyl formate 308.01
    1,2-dichloroethane 349.26
    n-hexanol 887.84
    2-methoxyethanol 1190.01
    isobutyl acetate 142.88
    tetrachloromethane 342.04
    n-pentyl acetate 181.97
    transcutol 881.91
    n-heptanol 345.8
    ethylbenzene 109.42
    MIBK 220.71
    2-propoxyethanol 910.54
    tert-butanol 1349.49
    MTBE 652.3
    2-butoxyethanol 421.76
    propionic acid 883.94
    o-xylene 180.7
    formic acid 638.77
    diethyl ether 532.61
    m-xylene 175.07
    p-xylene 153.38
    chlorobenzene 211.2
    dimethyl carbonate 151.94
    n-octane 58.73
    formamide 334.74
    cyclopentanone 544.69
    2-pentanone 353.41
    anisole 206.99
    cyclopentyl methyl ether 531.06
    gamma-butyrolactone 569.39
    1-methoxy-2-propanol 890.45
    pyridine 350.77
    3-pentanone 307.31
    furfural 448.47
    n-dodecane 46.9
    diethylene glycol 808.92
    diisopropyl ether 188.58
    tert-amyl alcohol 1071.31
    acetylacetone 303.1
    n-hexadecane 48.69
    acetophenone 178.88
    methyl propionate 381.67
    isopentyl acetate 201.29
    trichloroethylene 546.91
    n-nonanol 308.6
    cyclohexanol 842.28
    benzyl alcohol 233.1
    2-ethylhexanol 377.02
    isooctanol 240.01
    dipropyl ether 281.64
    1,2-dichlorobenzene 193.79
    ethyl lactate 186.43
    propylene carbonate 330.4
    n-methylformamide 495.78
    2-pentanol 655.39
    n-pentane 236.58
    1-propoxy-2-propanol 574.26
    1-methoxy-2-propyl acetate 271.75
    2-(2-methoxypropoxy) propanol 326.73
    mesitylene 121.36
    ε-caprolactone 535.36
    p-cymene 108.86
    epichlorohydrin 488.92
    1,1,1-trichloroethane 495.94
    2-aminoethanol 1057.47
    morpholine-4-carbaldehyde 708.31
    sulfolane 542.6
    2,2,4-trimethylpentane 115.8
    2-methyltetrahydrofuran 727.13
    n-hexyl acetate 356.72
    isooctane 75.26
    2-(2-butoxyethoxy)ethanol 438.45
    sec-butyl acetate 160.19
    tert-butyl acetate 281.79
    decalin 88.07
    glycerin 1167.43
    diglyme 608.6
    acrylic acid 634.52
    isopropyl myristate 138.4
    n-butyric acid 732.7
    acetyl acetate 250.97
    di(2-ethylhexyl) phthalate 133.06
    ethyl propionate 200.95
    nitromethane 648.04
    1,2-diethoxyethane 252.33
    benzonitrile 209.27
    trioctyl phosphate 114.45
    1-bromopropane 365.17
    gamma-valerolactone 665.95
    n-decanol 218.88
    triethyl phosphate 110.21
    4-methyl-2-pentanol 314.8
    propionitrile 434.49
    vinylene carbonate 289.48
    1,1,2-trichlorotrifluoroethane 626.2
    DMS 206.76
    cumene 103.97
    2-octanol 252.71
    2-hexanone 214.82
    octyl acetate 181.94
    limonene 188.45
    1,2-dimethoxyethane 607.77
    ethyl orthosilicate 118.19
    tributyl phosphate 121.33
    diacetone alcohol 417.24
    N,N-dimethylaniline 179.46
    acrylonitrile 408.72
    aniline 333.48
    1,3-propanediol 968.27
    bromobenzene 180.53
    dibromomethane 549.27
    1,1,2,2-tetrachloroethane 567.47
    2-methyl-cyclohexyl acetate 176.1
    tetrabutyl urea 149.25
    diisobutyl methanol 184.84
    2-phenylethanol 275.29
    styrene 114.94
    dioctyl adipate 167.93
    dimethyl sulfate 216.16
    ethyl butyrate 169.11
    methyl lactate 320.43
    butyl lactate 194.42
    diethyl carbonate 115.21
    propanediol butyl ether 449.46
    triethyl orthoformate 146.35
    p-tert-butyltoluene 119.03
    methyl 4-tert-butylbenzoate 228.97
    morpholine 947.33
    tert-butylamine 908.72
    n-dodecanol 166.84
    dimethoxymethane 430.53
    ethylene carbonate 271.71
    cyrene 252.87
    2-ethoxyethyl acetate 198.76
    2-ethylhexyl acetate 173.26
    1,2,4-trichlorobenzene 246.19
    4-methylpyridine 386.18
    dibutyl ether 225.18
    2,6-dimethyl-4-heptanol 184.84
    DEF 426.66
    dimethyl isosorbide 377.69
    tetrachloroethylene 452.11
    eugenol 232.94
    triacetin 275.12
    span 80 360.67
    1,4-butanediol 439.67
    1,1-dichloroethane 522.78
    2-methyl-1-pentanol 373.97
    methyl formate 340.94
    2-methyl-1-butanol 688.75
    n-decane 82.03
    butyronitrile 411.65
    3,7-dimethyl-1-octanol 290.46
    1-chlorooctane 195.98
    1-chlorotetradecane 80.87
    n-nonane 86.89
    undecane 59.18
    tert-butylcyclohexane 109.17
    cyclooctane 84.97
    cyclopentanol 811.65
    tetrahydropyran 792.68
    tert-amyl methyl ether 513.94
    2,5,8-trioxanonane 426.71
    1-hexene 311.92
    2-isopropoxyethanol 408.34
    2,2,2-trifluoroethanol 421.87
    methyl butyrate 235.15

    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