tert-Butyl acetate

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  • Identifiers

    CAS number
    540-88-5

    Molecular formula
    C6H12O2

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 84.49%
    Ethereal 53.05%
    Fresh 49.41%
    Mint 37.85%
    Banana 35.4%
    Fermented 33.28%
    Apple 32.48%
    Solvent 30.19%
    Camphoreous 30.18%
    Sharp 29.06%

     

    Flavor
    Sweet 64.09%
    Fruity 46.73%
    Bitter 40.28%
    Herbal 38.54%
    Banana 38.43%
    Ethereal 36.4%
    Citrus 34.85%
    Pungent 33.48%
    Solvent 32.77%
    Lavender 31.7%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 4.0 [mmHg]. Odor Threshold High: 47.0 [mmHg]. Odor threshold from "Quick Guide: The Electronic NIOSH Pocket Guide to Chemical Hazards"

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.2 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 208 °F at 760 mmHg (USCG, 1999)
    • 95.1 °C
    • 97.8 °C
    • 208 °F

    Flash point

    • 11.83 ˚C est.
    • 72 °F (NIOSH, 2024)
    • 72 °F
    • 72 °F (closed cup)
    • 16.6 - 22.2 °C (CLOSED CUP)
    • 15.5 °C c.c.

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • Soluble in ethanol, ethyl ether, chloroform, acetic acid
    • Miscible with common industrial organic solvents
    • Practically insoluble in water
    • Solubility in water: poor
    • Insoluble

  • Synonyms

    • TERT-BUTYL ACETATE
    • 540-88-5
    • t-Butyl acetate
    • tert-Butyl ethanoate
    • Acetic acid, 1,1-dimethylethyl ester
    • Acetic Acid tert-Butyl Ester
    • Acetic acid, tert-butyl ester
    • tert-butylacetate
    • Texaco lead appreciator
    • tert butyl acetate
    • 1,1-dimethylethyl acetate
    • tert.-Butyl acetate
    • Butyl acetate, tert-
    • NSC 59719
    • CCRIS 8999
    • HSDB 835
    • tertbutyl acetate
    • EINECS 208-760-7
    • UNII-76N22HKP3X
    • BRN 1699506
    • 76N22HKP3X
    • tertiary butyl acetate
    • DTXSID1022055
    • MFCD00008807
    • NSC-59719
    • Acetic acid t-butyl ester
    • CH3C(O)OC(CH3)3
    • DTXCID702055
    • TLA
    • TERT-BUTYL ACETATE [MI]
    • EC 208-760-7
    • TERT-BUTYL ACETATE [HSDB]
    • 4-02-00-00151 (Beilstein Handbook Reference)
    • 1,1-Dimethyl acetate
    • t-BUTYLACETATE
    • tbutyl acetate
    • terbutyl acetate
    • tert-Butyl ester of acetic acid
    • tBuOAc
    • tert-BuOAc
    • Tert-buty acetate
    • tertButyl ethanoate
    • t-BuOAc
    • tertiary butylacetate
    • Acetic acid 1,1-dimethylethyl ester
    • tertiary butyl aceate
    • 1,1Dimethyl acetate
    • tertiary-butyl acetate
    • Acetic acid, tertbutyl ester
    • Acetic acid-tert-butyl ester
    • SCHEMBL26684
    • acetic acid tert.-butyl ester
    • tert-Butyl acetate, >=99%
    • T-BUTYL ACETATE [INCI]
    • CHEMBL3186747
    • WLN: 1X1&1&OV1
    • Acetic acid,1-dimethylethyl ester
    • tert-Butyl acetate (ACGIH:OSHA)
    • BCP24431
    • NSC59719
    • Tox21_301308
    • Acetic acid, 1,1dimethylethyl ester
    • AKOS009031236
    • FB02384
    • NCGC00255313-01
    • CAS-540-88-5
    • NS00005482
    • Acetic acid, 1,1-dimethylethyl ester (9CI)
    • EN300-21693
    • A829954
    • Q285657
    • tert-Butyl acetate [UN1123] [Flammable liquid]
    • F8880-1277
    • 208-760-7

  • Applications

    tert-Butyl acetate (CAS 540-88-5) is commonly used as a solvent in industrial coatings, paints, and varnishes, as well as in inks and adhesives; it also serves as a solvent in cleaning formulations and surface treatment and degreasing applications, and can function as an intermediate and/or solvent component in organic synthesis and plastics processing; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 966.9
    methanol 1327.71
    isopropanol 862.38
    water 135.97
    ethyl acetate 863.55
    n-propanol 807.7
    acetone 972.32
    n-butanol 687.25
    acetonitrile 807.13
    DMF 1206.25
    toluene 435.34
    isobutanol 631.93
    1,4-dioxane 1069.28
    methyl acetate 938.37
    THF 1537.81
    2-butanone 748.34
    n-pentanol 430.1
    sec-butanol 803.32
    n-hexane 361.46
    ethylene glycol 397.55
    NMP 1623.76
    cyclohexane 366.76
    DMSO 558.96
    n-butyl acetate 401.98
    n-octanol 422.76
    chloroform 1453.96
    n-propyl acetate 382.52
    acetic acid 1577.37
    dichloromethane 1129.68
    cyclohexanone 947.06
    propylene glycol 508.36
    isopropyl acetate 505.71
    DMAc 1375.73
    2-ethoxyethanol 526.76
    isopentanol 501.86
    n-heptane 191.31
    ethyl formate 599.32
    1,2-dichloroethane 606.55
    n-hexanol 698.9
    2-methoxyethanol 1025.07
    isobutyl acetate 249.77
    tetrachloromethane 360.8
    n-pentyl acetate 308.81
    transcutol 1053.23
    n-heptanol 255.44
    ethylbenzene 250.43
    MIBK 356.22
    2-propoxyethanol 877.2
    tert-butanol 990.95
    MTBE 751.24
    2-butoxyethanol 356.55
    propionic acid 935.44
    o-xylene 355.35
    formic acid 715.91
    diethyl ether 847.05
    m-xylene 364.64
    p-xylene 326.95
    chlorobenzene 417.75
    dimethyl carbonate 368.42
    n-octane 74.75
    formamide 469.39
    cyclopentanone 982.25
    2-pentanone 616.82
    anisole 375.75
    cyclopentyl methyl ether 904.81
    gamma-butyrolactone 1252.22
    1-methoxy-2-propanol 806.19
    pyridine 601.25
    3-pentanone 573.58
    furfural 902.65
    n-dodecane 62.65
    diethylene glycol 582.63
    diisopropyl ether 299.22
    tert-amyl alcohol 847.67
    acetylacetone 684.04
    n-hexadecane 66.78
    acetophenone 342.76
    methyl propionate 735.5
    isopentyl acetate 324.31
    trichloroethylene 1036.97
    n-nonanol 344.79
    cyclohexanol 836.22
    benzyl alcohol 304.46
    2-ethylhexanol 371.91
    isooctanol 189.35
    dipropyl ether 392.17
    1,2-dichlorobenzene 367.51
    ethyl lactate 251.71
    propylene carbonate 728.68
    n-methylformamide 737.43
    2-pentanol 564.42
    n-pentane 307.84
    1-propoxy-2-propanol 554.96
    1-methoxy-2-propyl acetate 488.51
    2-(2-methoxypropoxy) propanol 395.59
    mesitylene 237.71
    ε-caprolactone 964.64
    p-cymene 160.94
    epichlorohydrin 943.33
    1,1,1-trichloroethane 835.01
    2-aminoethanol 594.82
    morpholine-4-carbaldehyde 1193.11
    sulfolane 989.43
    2,2,4-trimethylpentane 137.14
    2-methyltetrahydrofuran 1233.17
    n-hexyl acetate 623.82
    isooctane 84.87
    2-(2-butoxyethoxy)ethanol 483.79
    sec-butyl acetate 292.38
    tert-butyl acetate 527.26
    decalin 154.25
    glycerin 606.44
    diglyme 696.79
    acrylic acid 795.02
    isopropyl myristate 220.98
    n-butyric acid 884.71
    acetyl acetate 648.21
    di(2-ethylhexyl) phthalate 191.28
    ethyl propionate 454.97
    nitromethane 1449.37
    1,2-diethoxyethane 376.72
    benzonitrile 370.08
    trioctyl phosphate 145.01
    1-bromopropane 593.28
    gamma-valerolactone 1200.51
    n-decanol 244.13
    triethyl phosphate 168.38
    4-methyl-2-pentanol 280.74
    propionitrile 551.16
    vinylene carbonate 659.05
    1,1,2-trichlorotrifluoroethane 806.46
    DMS 478.46
    cumene 186.16
    2-octanol 223.51
    2-hexanone 361.99
    octyl acetate 309.39
    limonene 275.37
    1,2-dimethoxyethane 803.77
    ethyl orthosilicate 169.55
    tributyl phosphate 185.8
    diacetone alcohol 530.96
    N,N-dimethylaniline 293.19
    acrylonitrile 579.27
    aniline 440.24
    1,3-propanediol 623.84
    bromobenzene 386.26
    dibromomethane 854.8
    1,1,2,2-tetrachloroethane 855.99
    2-methyl-cyclohexyl acetate 283.38
    tetrabutyl urea 238.67
    diisobutyl methanol 170.58
    2-phenylethanol 342.74
    styrene 258.1
    dioctyl adipate 289.74
    dimethyl sulfate 479.2
    ethyl butyrate 308.61
    methyl lactate 404.0
    butyl lactate 247.71
    diethyl carbonate 221.11
    propanediol butyl ether 408.01
    triethyl orthoformate 224.93
    p-tert-butyltoluene 167.96
    methyl 4-tert-butylbenzoate 385.43
    morpholine 1184.79
    tert-butylamine 715.92
    n-dodecanol 183.89
    dimethoxymethane 820.25
    ethylene carbonate 586.72
    cyrene 350.78
    2-ethoxyethyl acetate 392.26
    2-ethylhexyl acetate 282.63
    1,2,4-trichlorobenzene 445.23
    4-methylpyridine 774.65
    dibutyl ether 352.91
    2,6-dimethyl-4-heptanol 170.58
    DEF 793.73
    dimethyl isosorbide 569.08
    tetrachloroethylene 629.36
    eugenol 317.24
    triacetin 505.22
    span 80 408.4
    1,4-butanediol 265.66
    1,1-dichloroethane 813.52
    2-methyl-1-pentanol 344.41
    methyl formate 697.34
    2-methyl-1-butanol 589.97
    n-decane 107.12
    butyronitrile 515.2
    3,7-dimethyl-1-octanol 329.3
    1-chlorooctane 277.32
    1-chlorotetradecane 117.1
    n-nonane 117.67
    undecane 78.12
    tert-butylcyclohexane 160.37
    cyclooctane 151.34
    cyclopentanol 833.74
    tetrahydropyran 1093.08
    tert-amyl methyl ether 671.12
    2,5,8-trioxanonane 512.35
    1-hexene 492.67
    2-isopropoxyethanol 387.21
    2,2,2-trifluoroethanol 610.83
    methyl butyrate 506.6

    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