2-Methyl-2-butanol acetate

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  • Identifiers

    CAS number
    625-16-1

    Molecular formula
    C7H14O2

    SMILES
    CCC(C)(C)OC(=O)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 91.57%
    Fresh 54.87%
    Ethereal 48.95%
    Banana 44.8%
    Mint 41.39%
    Apple 36.37%
    Sweet 33.87%
    Pear 33.07%
    Herbal 32.33%
    Camphoreous 30.38%

     

    Flavor
    Sweet 58.15%
    Herbal 45.15%
    Fruity 43.31%
    Banana 39.62%
    Bitter 39.12%
    Lavender 37.54%
    Citrus 36.97%
    Woody 34.9%
    Green 34.25%
    Ethereal 34.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.88 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • greater than -148 °F (USCG, 1999)

    Boiling point

    • 256.5 °F at 760 mmHg (USCG, 1999)

    Flash point

    • 24.94 ˚C est.
    • 79 °F (est) (USCG, 1999)
    • 79 °F

  • Synonyms

    • tert-Amyl acetate
    • 625-16-1
    • T-PENTYL ACETATE
    • 2-methylbutan-2-yl acetate
    • 2-Butanol, 2-methyl-, acetate
    • t-Pentylacetate
    • 2-Methyl-2-butanol acetate
    • tert-Pentyl Alcohol, acetate
    • tert-Pentyl Acetate
    • 1,1-Dimethylpropyl acetate
    • t-amyl acetate
    • tertAmyl acetate
    • tertPentyl acetate
    • tert-Amyl ethanoate
    • TERT-PENTYLACETATE
    • 1,1Dimethylpropyl acetate
    • 2Butanol, 2methyl, acetate
    • SCHEMBL66105
    • acetic acid tert-pentyl ester
    • JCCIFDCPHCKATH-UHFFFAOYSA-
    • DTXSID80978091
    • CH3C(O)OC(CH3)2CH2CH3
    • AKOS006271856
    • Acetic acid, 1,1-dimethylpropyl ester
    • DB-054189
    • CS-0235745
    • NS00113866
    • EN300-160596
    • G35563
    • Z1198150536
    • InChI=1/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3
    • 809-420-6

  • Applications

    2-Methyl-2-butanol acetate (CAS 625-16-1) is commonly used as a solvent in coatings, inks, and adhesives; as a fragrance solvent and odorant in perfumery and consumer products; as a solvent or processing aid in cosmetics and personal care formulations; as a processing solvent and synthetic intermediate in polymer and plastics applications; and as a solvent component in cleaning formulations and household products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1082.99
    methanol 1617.35
    isopropanol 1155.83
    water 61.27
    ethyl acetate 657.16
    n-propanol 1038.01
    acetone 795.28
    n-butanol 908.19
    acetonitrile 671.91
    DMF 1137.8
    toluene 459.91
    isobutanol 910.2
    1,4-dioxane 1109.43
    methyl acetate 727.89
    THF 1310.58
    2-butanone 745.2
    n-pentanol 603.36
    sec-butanol 1173.92
    n-hexane 382.27
    ethylene glycol 429.71
    NMP 1307.37
    cyclohexane 322.36
    DMSO 636.68
    n-butyl acetate 357.67
    n-octanol 529.67
    chloroform 1755.2
    n-propyl acetate 294.49
    acetic acid 892.81
    dichloromethane 1291.78
    cyclohexanone 1004.71
    propylene glycol 669.7
    isopropyl acetate 431.17
    DMAc 1297.38
    2-ethoxyethanol 632.24
    isopentanol 748.71
    n-heptane 158.76
    ethyl formate 422.39
    1,2-dichloroethane 643.24
    n-hexanol 920.9
    2-methoxyethanol 1162.64
    isobutyl acetate 227.11
    tetrachloromethane 414.14
    n-pentyl acetate 318.25
    transcutol 1109.63
    n-heptanol 376.46
    ethylbenzene 285.84
    MIBK 395.69
    2-propoxyethanol 1024.77
    tert-butanol 1360.61
    MTBE 969.15
    2-butoxyethanol 455.14
    propionic acid 836.06
    o-xylene 374.98
    formic acid 418.77
    diethyl ether 811.15
    m-xylene 393.08
    p-xylene 368.87
    chlorobenzene 452.85
    dimethyl carbonate 238.58
    n-octane 79.63
    formamide 283.29
    cyclopentanone 927.11
    2-pentanone 607.6
    anisole 398.31
    cyclopentyl methyl ether 850.79
    gamma-butyrolactone 972.64
    1-methoxy-2-propanol 962.81
    pyridine 577.46
    3-pentanone 536.58
    furfural 741.45
    n-dodecane 63.75
    diethylene glycol 729.27
    diisopropyl ether 304.02
    tert-amyl alcohol 1256.28
    acetylacetone 593.92
    n-hexadecane 69.33
    acetophenone 347.21
    methyl propionate 590.09
    isopentyl acetate 358.86
    trichloroethylene 1028.1
    n-nonanol 413.42
    cyclohexanol 997.75
    benzyl alcohol 360.99
    2-ethylhexanol 449.56
    isooctanol 281.8
    dipropyl ether 338.57
    1,2-dichlorobenzene 398.43
    ethyl lactate 233.47
    propylene carbonate 569.73
    n-methylformamide 570.2
    2-pentanol 740.34
    n-pentane 298.29
    1-propoxy-2-propanol 631.37
    1-methoxy-2-propyl acetate 423.45
    2-(2-methoxypropoxy) propanol 436.55
    mesitylene 262.59
    ε-caprolactone 879.11
    p-cymene 172.59
    epichlorohydrin 872.54
    1,1,1-trichloroethane 908.27
    2-aminoethanol 690.05
    morpholine-4-carbaldehyde 1090.36
    sulfolane 1090.33
    2,2,4-trimethylpentane 160.71
    2-methyltetrahydrofuran 1153.19
    n-hexyl acetate 643.93
    isooctane 98.99
    2-(2-butoxyethoxy)ethanol 510.4
    sec-butyl acetate 260.7
    tert-butyl acetate 506.51
    decalin 162.67
    glycerin 741.45
    diglyme 731.56
    acrylic acid 608.36
    isopropyl myristate 220.22
    n-butyric acid 805.92
    acetyl acetate 425.59
    di(2-ethylhexyl) phthalate 208.27
    ethyl propionate 346.08
    nitromethane 876.14
    1,2-diethoxyethane 362.16
    benzonitrile 404.43
    trioctyl phosphate 166.3
    1-bromopropane 678.99
    gamma-valerolactone 1139.68
    n-decanol 288.25
    triethyl phosphate 157.62
    4-methyl-2-pentanol 422.55
    propionitrile 607.23
    vinylene carbonate 503.23
    1,1,2-trichlorotrifluoroethane 788.76
    DMS 385.69
    cumene 228.52
    2-octanol 336.11
    2-hexanone 385.29
    octyl acetate 293.05
    limonene 289.81
    1,2-dimethoxyethane 875.07
    ethyl orthosilicate 164.35
    tributyl phosphate 190.11
    diacetone alcohol 621.32
    N,N-dimethylaniline 339.22
    acrylonitrile 605.33
    aniline 488.06
    1,3-propanediol 731.92
    bromobenzene 443.49
    dibromomethane 966.23
    1,1,2,2-tetrachloroethane 1093.97
    2-methyl-cyclohexyl acetate 280.22
    tetrabutyl urea 240.97
    diisobutyl methanol 222.94
    2-phenylethanol 410.15
    styrene 288.71
    dioctyl adipate 267.32
    dimethyl sulfate 401.42
    ethyl butyrate 255.62
    methyl lactate 389.53
    butyl lactate 265.89
    diethyl carbonate 175.18
    propanediol butyl ether 527.21
    triethyl orthoformate 199.96
    p-tert-butyltoluene 191.1
    methyl 4-tert-butylbenzoate 376.3
    morpholine 1183.65
    tert-butylamine 947.21
    n-dodecanol 212.79
    dimethoxymethane 689.36
    ethylene carbonate 443.57
    cyrene 365.83
    2-ethoxyethyl acetate 340.2
    2-ethylhexyl acetate 299.11
    1,2,4-trichlorobenzene 479.19
    4-methylpyridine 805.72
    dibutyl ether 359.56
    2,6-dimethyl-4-heptanol 222.94
    DEF 712.03
    dimethyl isosorbide 583.89
    tetrachloroethylene 712.95
    eugenol 341.75
    triacetin 417.12
    span 80 435.29
    1,4-butanediol 364.94
    1,1-dichloroethane 945.9
    2-methyl-1-pentanol 539.31
    methyl formate 453.1
    2-methyl-1-butanol 842.94
    n-decane 115.18
    butyronitrile 587.06
    3,7-dimethyl-1-octanol 431.49
    1-chlorooctane 324.44
    1-chlorotetradecane 124.94
    n-nonane 128.55
    undecane 81.46
    tert-butylcyclohexane 190.8
    cyclooctane 127.69
    cyclopentanol 990.63
    tetrahydropyran 1072.29
    tert-amyl methyl ether 787.47
    2,5,8-trioxanonane 528.75
    1-hexene 598.9
    2-isopropoxyethanol 478.79
    2,2,2-trifluoroethanol 354.03
    methyl butyrate 422.55

    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