2,3-Dimethyl-2-pentanol

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  • Identifiers

    CAS number
    4911-70-0

    Molecular formula
    C7H16O

    SMILES
    CCC(C)C(C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 64.51%
    Camphoreous 53.92%
    Ethereal 50.99%
    Fermented 50.05%
    Mint 44.58%
    Fresh 43.65%
    Earthy 39.52%
    Herbal 38.3%
    Solvent 35.66%
    Musty 34.84%

     

    Flavor
    Green 52.71%
    Floral 35.0%
    Woody 34.75%
    Pungent 34.22%
    Lily 32.8%
    Oily 32.08%
    Citrus 28.03%
    Earthy 27.02%
    Mild 26.16%
    Sweet 25.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    10.62 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    141°C

    Flash point

    • 36.06 ˚C est.

  • Synonyms

    • 2,3-Dimethylpentan-2-ol
    • 2,3-DIMETHYL-2-PENTANOL
    • 2-Pentanol, 2,3-dimethyl-
    • EINECS 225-538-5
    • NSC 27243
    • YRSIFCHKXFKNME-UHFFFAOYSA-
    • DTXSID90875704
    • 2,3Dimethyl2pentanol
    • RefChem:81824
    • 2Pentanol, 2,3dimethyl (8CI)
    • DTXCID601013824
    • 2-Pentanol, 2,3-dimethyl-(8CI)
    • 2Pentanol, 2,3dimethyl (8CI)(9CI)
    • 2-Pentanol, 2,3-dimethyl-(8CI)(9CI)
    • 225-538-5
    • InChI=1/C7H16O/c1-5-6(2)7(3,4)8/h6,8H,5H2,1-4H3
    • YRSIFCHKXFKNME-UHFFFAOYSA-N
    • 4911-70-0
    • XDE2VG2YXY
    • NSC-27243
    • NSC27243
    • UNII-XDE2VG2YXY
    • 2-Pentanol,3-dimethyl-
    • SCHEMBL213668
    • SCHEMBL449852
    • SCHEMBL5949326
    • NS00045275
    • EN300-1830964
    • 4911-70-0

  • Applications

    2,3-Dimethyl-2-pentanol (CAS 4911-70-0) is a tertiary alcohol with moderate polarity that is typically used as an intermediate in organic synthesis and, in some formulations, as a processing solvent. In industry it can serve as a building block for specialty chemicals, including derivatives for plastics and polymers, and as a precursor in the synthesis of fragrance or cosmetic compounds. It may appear in coating and ink formulations as a reactive alcohol or processing aid, and can be used in limited applications in cleaning formulations. In research and development, it is evaluated as a precursor for further functionalization. Its specific use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1320.57
    methanol 1430.79
    isopropanol 1184.14
    water 6.88
    ethyl acetate 588.67
    n-propanol 1084.73
    acetone 488.9
    n-butanol 1158.56
    acetonitrile 464.19
    DMF 405.84
    toluene 230.62
    isobutanol 821.27
    1,4-dioxane 1131.22
    methyl acetate 468.96
    THF 1595.71
    2-butanone 553.43
    n-pentanol 664.96
    sec-butanol 1073.91
    n-hexane 604.15
    ethylene glycol 201.7
    NMP 542.72
    cyclohexane 420.55
    DMSO 357.62
    n-butyl acetate 700.95
    n-octanol 623.5
    chloroform 1182.92
    n-propyl acetate 338.18
    acetic acid 552.49
    dichloromethane 732.59
    cyclohexanone 751.57
    propylene glycol 360.93
    isopropyl acetate 413.84
    DMAc 421.56
    2-ethoxyethanol 604.71
    isopentanol 919.47
    n-heptane 511.18
    ethyl formate 325.49
    1,2-dichloroethane 415.87
    n-hexanol 1471.05
    2-methoxyethanol 954.29
    isobutyl acetate 257.01
    tetrachloromethane 421.25
    n-pentyl acetate 443.54
    transcutol 1512.12
    n-heptanol 658.33
    ethylbenzene 169.87
    MIBK 342.4
    2-propoxyethanol 1154.57
    tert-butanol 1405.53
    MTBE 1083.54
    2-butoxyethanol 687.29
    propionic acid 550.36
    o-xylene 195.92
    formic acid 220.46
    diethyl ether 943.63
    m-xylene 195.81
    p-xylene 237.56
    chlorobenzene 294.14
    dimethyl carbonate 95.77
    n-octane 163.15
    formamide 205.59
    cyclopentanone 705.04
    2-pentanone 485.71
    anisole 293.13
    cyclopentyl methyl ether 737.91
    gamma-butyrolactone 686.7
    1-methoxy-2-propanol 753.18
    pyridine 442.23
    3-pentanone 375.24
    furfural 477.51
    n-dodecane 96.71
    diethylene glycol 652.91
    diisopropyl ether 397.66
    tert-amyl alcohol 1225.14
    acetylacetone 349.72
    n-hexadecane 102.54
    acetophenone 220.69
    methyl propionate 367.13
    isopentyl acetate 579.43
    trichloroethylene 644.01
    n-nonanol 522.67
    cyclohexanol 863.27
    benzyl alcohol 251.14
    2-ethylhexanol 842.39
    isooctanol 501.49
    dipropyl ether 766.83
    1,2-dichlorobenzene 266.97
    ethyl lactate 183.14
    propylene carbonate 417.71
    n-methylformamide 305.99
    2-pentanol 835.21
    n-pentane 447.47
    1-propoxy-2-propanol 938.67
    1-methoxy-2-propyl acetate 476.34
    2-(2-methoxypropoxy) propanol 483.56
    mesitylene 155.23
    ε-caprolactone 686.7
    p-cymene 197.21
    epichlorohydrin 635.39
    1,1,1-trichloroethane 632.86
    2-aminoethanol 517.69
    morpholine-4-carbaldehyde 641.9
    sulfolane 582.75
    2,2,4-trimethylpentane 207.93
    2-methyltetrahydrofuran 1199.47
    n-hexyl acetate 692.89
    isooctane 166.09
    2-(2-butoxyethoxy)ethanol 712.95
    sec-butyl acetate 290.62
    tert-butyl acetate 484.12
    decalin 183.41
    glycerin 379.34
    diglyme 918.64
    acrylic acid 329.77
    isopropyl myristate 262.28
    n-butyric acid 840.94
    acetyl acetate 286.89
    di(2-ethylhexyl) phthalate 197.46
    ethyl propionate 320.68
    nitromethane 424.48
    1,2-diethoxyethane 671.07
    benzonitrile 290.6
    trioctyl phosphate 186.85
    1-bromopropane 574.18
    gamma-valerolactone 791.35
    n-decanol 381.22
    triethyl phosphate 184.02
    4-methyl-2-pentanol 501.62
    propionitrile 531.4
    vinylene carbonate 308.9
    1,1,2-trichlorotrifluoroethane 492.65
    DMS 243.94
    cumene 160.57
    2-octanol 476.36
    2-hexanone 423.14
    octyl acetate 324.36
    limonene 355.3
    1,2-dimethoxyethane 778.48
    ethyl orthosilicate 214.74
    tributyl phosphate 207.6
    diacetone alcohol 496.61
    N,N-dimethylaniline 224.25
    acrylonitrile 388.54
    aniline 335.02
    1,3-propanediol 675.09
    bromobenzene 286.73
    dibromomethane 628.01
    1,1,2,2-tetrachloroethane 662.12
    2-methyl-cyclohexyl acetate 365.92
    tetrabutyl urea 227.74
    diisobutyl methanol 401.23
    2-phenylethanol 416.55
    styrene 179.45
    dioctyl adipate 273.4
    dimethyl sulfate 129.65
    ethyl butyrate 432.98
    methyl lactate 203.08
    butyl lactate 332.58
    diethyl carbonate 244.46
    propanediol butyl ether 567.06
    triethyl orthoformate 348.59
    p-tert-butyltoluene 214.18
    methyl 4-tert-butylbenzoate 315.84
    morpholine 1250.78
    tert-butylamine 1174.65
    n-dodecanol 283.86
    dimethoxymethane 359.37
    ethylene carbonate 318.87
    cyrene 282.26
    2-ethoxyethyl acetate 412.54
    2-ethylhexyl acetate 503.29
    1,2,4-trichlorobenzene 303.21
    4-methylpyridine 446.05
    dibutyl ether 622.97
    2,6-dimethyl-4-heptanol 401.23
    DEF 455.95
    dimethyl isosorbide 584.0
    tetrachloroethylene 501.05
    eugenol 287.34
    triacetin 340.67
    span 80 543.87
    1,4-butanediol 279.07
    1,1-dichloroethane 614.14
    2-methyl-1-pentanol 606.8
    methyl formate 194.06
    2-methyl-1-butanol 884.0
    n-decane 180.96
    butyronitrile 645.24
    3,7-dimethyl-1-octanol 548.62
    1-chlorooctane 369.28
    1-chlorotetradecane 154.27
    n-nonane 198.35
    undecane 125.76
    tert-butylcyclohexane 229.15
    cyclooctane 175.0
    cyclopentanol 809.1
    tetrahydropyran 1267.6
    tert-amyl methyl ether 786.03
    2,5,8-trioxanonane 614.6
    1-hexene 772.78
    2-isopropoxyethanol 474.94
    2,2,2-trifluoroethanol 182.68
    methyl butyrate 371.37

    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