4,4-Dimethylpentan-2-ol

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  • Identifiers

    CAS number
    6144-93-0

    Molecular formula
    C7H16O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 63.85%
    Fermented 54.74%
    Camphoreous 48.22%
    Woody 46.79%
    Mint 45.89%
    Herbal 45.25%
    Alcoholic 44.84%
    Oily 42.15%
    Earthy 40.83%
    Floral 40.17%

     

    Flavor
    Green 61.85%
    Floral 47.38%
    Oily 40.88%
    Earthy 35.43%
    Pungent 32.17%
    Lily 30.99%
    Mild 28.78%
    Fruity 26.42%
    Tropical 25.6%
    Citrus 24.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.25 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    140°C

    Flash point

    • 43.07 ˚C est.

  • Synonyms

    • 4,4-Dimethylpentan-2-ol
    • EINECS 228-147-8
    • DTXSID40977005
    • RefChem:507452
    • DTXCID40835434
    • 228-147-8
    • 4,4-Dimethyl-2-pentanol
    • 6144-93-0
    • Methylneopentylcarbinol
    • 2-Pentanol, 4,4-dimethyl-
    • MFCD00004548
    • SCHEMBL195392
    • SCHEMBL451398
    • SCHEMBL27637089
    • SCHEMBL27734966
    • 4,4-Dimethyl-2-pentanol, 98%
    • AKOS009158573
    • AS-87586
    • DA-04408
    • NS00044657
    • E84098
    • EN300-244088
    • 6144-93-0

  • Applications

    4,4-Dimethylpentan-2-ol (CAS 6144-93-0) is primarily used as an organic synthesis intermediate; it is commonly employed to prepare esters, ethers, and other branched aliphatic compounds via standard alcohol chemistry. It may serve as a non-aqueous solvent or co-solvent in industrial manufacturing and formulation processes. The alcohol can be converted to various derivatives for use in fragrances and cosmetics as an intermediate or fragrance precursor; it can also be used as a precursor for specialty plasticizers and performance additives for coatings and inks. In some applications, it is evaluated as a building block in polymers or as a precursor to branched aliphatic compounds used in specialty chemicals. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 590.27
    methanol 852.51
    isopropanol 482.81
    water 12.49
    ethyl acetate 269.41
    n-propanol 538.79
    acetone 258.01
    n-butanol 541.94
    acetonitrile 210.32
    DMF 218.72
    toluene 123.4
    isobutanol 410.06
    1,4-dioxane 492.98
    methyl acetate 268.62
    THF 835.87
    2-butanone 274.44
    n-pentanol 288.59
    sec-butanol 493.94
    n-hexane 373.46
    ethylene glycol 191.14
    NMP 502.63
    cyclohexane 357.74
    DMSO 174.67
    n-butyl acetate 444.24
    n-octanol 451.07
    chloroform 520.53
    n-propyl acetate 186.03
    acetic acid 570.65
    dichloromethane 291.96
    cyclohexanone 472.45
    propylene glycol 310.72
    isopropyl acetate 203.4
    DMAc 276.13
    2-ethoxyethanol 252.07
    isopentanol 403.71
    n-heptane 491.3
    ethyl formate 193.27
    1,2-dichloroethane 199.95
    n-hexanol 1015.24
    2-methoxyethanol 467.21
    isobutyl acetate 158.73
    tetrachloromethane 191.77
    n-pentyl acetate 233.01
    transcutol 730.24
    n-heptanol 407.31
    ethylbenzene 95.69
    MIBK 200.1
    2-propoxyethanol 769.04
    tert-butanol 645.89
    MTBE 494.06
    2-butoxyethanol 389.44
    propionic acid 442.87
    o-xylene 120.16
    formic acid 244.82
    diethyl ether 403.27
    m-xylene 128.8
    p-xylene 126.53
    chlorobenzene 150.59
    dimethyl carbonate 83.25
    n-octane 132.44
    formamide 114.13
    cyclopentanone 442.15
    2-pentanone 254.08
    anisole 143.63
    cyclopentyl methyl ether 498.03
    gamma-butyrolactone 508.7
    1-methoxy-2-propanol 390.21
    pyridine 227.3
    3-pentanone 220.45
    furfural 314.84
    n-dodecane 81.07
    diethylene glycol 435.52
    diisopropyl ether 211.28
    tert-amyl alcohol 581.55
    acetylacetone 187.64
    n-hexadecane 84.47
    acetophenone 131.59
    methyl propionate 225.86
    isopentyl acetate 401.59
    trichloroethylene 313.25
    n-nonanol 369.22
    cyclohexanol 584.23
    benzyl alcohol 126.45
    2-ethylhexanol 630.42
    isooctanol 289.39
    dipropyl ether 520.26
    1,2-dichlorobenzene 150.59
    ethyl lactate 137.27
    propylene carbonate 341.27
    n-methylformamide 189.45
    2-pentanol 410.77
    n-pentane 312.68
    1-propoxy-2-propanol 654.44
    1-methoxy-2-propyl acetate 333.78
    2-(2-methoxypropoxy) propanol 322.98
    mesitylene 111.04
    ε-caprolactone 486.88
    p-cymene 165.8
    epichlorohydrin 346.77
    1,1,1-trichloroethane 305.93
    2-aminoethanol 338.33
    morpholine-4-carbaldehyde 390.48
    sulfolane 470.66
    2,2,4-trimethylpentane 160.2
    2-methyltetrahydrofuran 666.98
    n-hexyl acetate 442.5
    isooctane 130.25
    2-(2-butoxyethoxy)ethanol 437.4
    sec-butyl acetate 155.33
    tert-butyl acetate 286.47
    decalin 135.84
    glycerin 349.4
    diglyme 499.94
    acrylic acid 327.7
    isopropyl myristate 198.99
    n-butyric acid 520.55
    acetyl acetate 180.0
    di(2-ethylhexyl) phthalate 157.23
    ethyl propionate 190.39
    nitromethane 327.73
    1,2-diethoxyethane 268.53
    benzonitrile 151.95
    trioctyl phosphate 153.45
    1-bromopropane 259.48
    gamma-valerolactone 524.85
    n-decanol 275.27
    triethyl phosphate 147.06
    4-methyl-2-pentanol 256.4
    propionitrile 245.67
    vinylene carbonate 241.59
    1,1,2-trichlorotrifluoroethane 351.31
    DMS 188.35
    cumene 101.6
    2-octanol 287.19
    2-hexanone 216.64
    octyl acetate 245.7
    limonene 319.34
    1,2-dimethoxyethane 330.53
    ethyl orthosilicate 159.33
    tributyl phosphate 179.79
    diacetone alcohol 303.73
    N,N-dimethylaniline 120.79
    acrylonitrile 185.8
    aniline 178.15
    1,3-propanediol 353.74
    bromobenzene 135.01
    dibromomethane 277.72
    1,1,2,2-tetrachloroethane 322.41
    2-methyl-cyclohexyl acetate 294.23
    tetrabutyl urea 205.83
    diisobutyl methanol 313.08
    2-phenylethanol 252.95
    styrene 88.2
    dioctyl adipate 207.07
    dimethyl sulfate 109.84
    ethyl butyrate 288.71
    methyl lactate 153.1
    butyl lactate 243.34
    diethyl carbonate 176.68
    propanediol butyl ether 390.33
    triethyl orthoformate 239.22
    p-tert-butyltoluene 173.88
    methyl 4-tert-butylbenzoate 243.73
    morpholine 569.0
    tert-butylamine 558.37
    n-dodecanol 212.22
    dimethoxymethane 204.68
    ethylene carbonate 234.82
    cyrene 219.97
    2-ethoxyethyl acetate 206.14
    2-ethylhexyl acetate 343.88
    1,2,4-trichlorobenzene 178.57
    4-methylpyridine 223.84
    dibutyl ether 357.45
    2,6-dimethyl-4-heptanol 313.08
    DEF 251.75
    dimethyl isosorbide 442.46
    tetrachloroethylene 256.61
    eugenol 216.43
    triacetin 253.37
    span 80 399.6
    1,4-butanediol 146.75
    1,1-dichloroethane 266.56
    2-methyl-1-pentanol 256.87
    methyl formate 150.88
    2-methyl-1-butanol 427.68
    n-decane 145.51
    butyronitrile 287.28
    3,7-dimethyl-1-octanol 388.38
    1-chlorooctane 270.58
    1-chlorotetradecane 115.82
    n-nonane 163.64
    undecane 104.5
    tert-butylcyclohexane 173.21
    cyclooctane 166.3
    cyclopentanol 512.18
    tetrahydropyran 655.85
    tert-amyl methyl ether 421.54
    2,5,8-trioxanonane 386.24
    1-hexene 397.05
    2-isopropoxyethanol 194.37
    2,2,2-trifluoroethanol 180.15
    methyl butyrate 230.95

    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