Isopropyl acetate

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  • Identifiers

    CAS number
    108-21-4

    Molecular formula
    C5H10O2

    SMILES
    CC(C)OC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 96.19%
    Sweet 81.37%
    Ethereal 79.27%
    Banana 66.49%
    Rummy 53.3%
    Pineapple 51.15%
    Apple 48.48%
    Solvent 46.01%
    Pear 45.37%
    Sharp 41.68%

     

    Flavor
    Fruity 77.19%
    Sweet 73.05%
    Ethereal 54.61%
    Banana 54.57%
    Tropical 40.61%
    Bitter 40.59%
    Solvent 38.52%
    Herbal 38.09%
    Ether 37.98%
    Fruit 35.8%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.5 [mmHg]. Odor Threshold High: 34.0 [mmHg]. Detection odor threshold from AIHA (mean = 4.1 ppm)
    • Odor Threshold: 2.7 ul/l
    • 0.19 mg/cu m (odor low); 1520.00 mg/cu m (odor high).

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.77 (neutral)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -100.1 °F (NTP, 1992)
    • -73.4 °C
    • -73 °C
    • -100.1 °F
    • -92 °F

    Boiling point

    • 190 to 196 °F at 743.3 mmHg (NTP, 1992)
    • 88.6 °C @ 760 MM HG
    • 88.00 to 89.00 °C. @ 760.00 mm Hg
    • 89 °C
    • 194 °F

    Flash point

    • 6.62 ˚C est.
    • 36 °F (NTP, 1992)
    • 2 °C
    • 2 °C (CLOSED CUP)
    • 2 °C c.c.
    • 36 °F

    Solubility expt.

    • 1 to 10 mg/mL at 68 °F (NTP, 1992)
    • SOL IN ACETONE, ETHANOL; MISCIBLE IN ETHYL ETHER
    • In water, 2.90X10+4 mg/l at 25 °C
    • Miscible with most of the common organic solvents: alcohols, ketones, esters, oils, hydrocarbons
    • 30.9 mg/mL at 20 °C
    • Solubility in water, g/100ml at 20 °C: 31 (poor)
    • miscible with alcohol, ether and fixed oils; slightly soluble in water
    • 3%

  • Synonyms

    • ISOPROPYL ACETATE
    • 108-21-4
    • 2-Propyl acetate
    • propan-2-yl acetate
    • 2-Acetoxypropane
    • Acetic acid, 1-methylethyl ester
    • Isopropyl ethanoate
    • Isopropylacetat
    • Paracetat
    • Isopropylacetaat
    • Acetic Acid, isopropyl ester
    • 1-Methylethyl acetate
    • Acetate d'isopropyle
    • Ispropyl acetate
    • Isopropylester kyseliny octove
    • Isopropile (acetato di)
    • Isopropyl (acetate d')
    • FEMA No. 2926
    • Acetic Acid Isopropyl Ester
    • NSC 9295
    • Isopropile(acetato di)
    • CCRIS 6053
    • HSDB 159
    • Isopropyle (acetate d')
    • iso-propyl acetate
    • EINECS 203-561-1
    • sec-Propyl acetate
    • IPAc
    • UNII-1Y67AFK870
    • Isopropyl ester of acetic acid
    • BRN 1740761
    • Acetic acid 1-methylethyl ester
    • DTXSID2025478
    • 1Y67AFK870
    • NSC-9295
    • CH3COOCH(CH3)2
    • Acetic acid, 2-propyl ester
    • DTXCID605478
    • EC 203-561-1
    • 4-02-00-00141 (Beilstein Handbook Reference)
    • ISOPROPYL ACETATE (USP-RS)
    • ISOPROPYL ACETATE [USP-RS]
    • Isopropylacetaat [Dutch]
    • Isopropylacetat [German]
    • CAS-108-21-4
    • Acetate d'isopropyle [French]
    • Isopropyl (acetate d') [French]
    • Isopropyle (acetate d') [French]
    • Isopropile (acetato di) [Italian]
    • MFCD00008877
    • UN1220
    • ISOPROPYL ACETATE (1,1,1,3,3,3-D6)
    • Isopropylester kyseliny octove [Czech]
    • 2-propylacetate
    • iso-propylacetate
    • i-propyl acetate
    • AcOiPr
    • iPrOAc
    • iso-PrOAc
    • so-Propyl acetate
    • i-PrOAc
    • Iso Propyl Acetate
    • Tri IPAC
    • T-IsoPropyl Acetate
    • T-Iso Propyl Acetate
    • Tri IsoPropyl Acetate
    • propan-2-yl ethanoate
    • Isopropyl(acetate d')
    • Isopropylacetat(german)
    • Tri Iso Propyl Acetate
    • 2-METHYLETHANOATE
    • Isopropyl acetate, 98%
    • Isopropyl acetate, 99%
    • Acetic acid-isopropyl ester
    • Isopropyl acetate [UN1220] [Flammable liquid]
    • WLN: 1YOV1
    • 1-Methylethyl acetate, 9CI
    • SCHEMBL19193
    • acetic acid propan-2-yl ester
    • ISOPROPYL ACETATE [MI]
    • ISOPROPYL ACETATE [FCC]
    • Isopropyl acetate, >=99.6%
    • CHEMBL1608674
    • ISOPROPYL ACETATE [FHFI]
    • ISOPROPYL ACETATE [HSDB]
    • FEMA 2926
    • NSC9295
    • CHEBI:230546
    • Isopropyl acetate, >=99%, FCC
    • Tox21_201443
    • Tox21_303287
    • Isopropyl acetate, analytical standard
    • AKOS008949447
    • AT32600
    • UN 1220
    • NCGC00091731-01
    • NCGC00091731-02
    • NCGC00257073-01
    • NCGC00258994-01
    • FI153395
    • LS-13071
    • A0036
    • NS00005278
    • EN300-42702
    • A801824
    • Isopropyl acetate [UN1220] [Flammable liquid]
    • Q419799
    • Isopropyl acetate, puriss. p.a., >=99.5% (GC)
    • Isopropyl acetate, anhydrous, ZerO2(TM), >=99.6%
    • InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H
    • Isopropyl acetate, United States Pharmacopeia (USP) Reference Standard
    • 203-561-1

  • Applications

    Isopropyl acetate (CAS 108-21-4) is a volatile organic solvent with a mild fruity odor that is widely used in wood coatings, printing and flexographic inks, electronic cleaners, thinners for resins and nitrocellulose, extraction solvent for flavors and essential oils, flavoring component in food and perfumes, flow-enhancing additive for surface adhesives, reaction medium in pharmaceutical synthesis, repair agent for electronic circuitry, and analytical laboratory reagent; thanks to its fast evaporation rate and strong solvency, it is chosen to shorten drying times, minimize brush marks, and improve gloss in finished coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 822.42
    methanol 1141.52
    isopropanol 644.81
    water 110.27
    ethyl acetate 562.8
    n-propanol 579.48
    acetone 861.85
    n-butanol 486.84
    acetonitrile 677.27
    DMF 983.18
    toluene 244.19
    isobutanol 430.18
    1,4-dioxane 920.14
    methyl acetate 635.86
    THF 1101.02
    2-butanone 548.42
    n-pentanol 298.79
    sec-butanol 553.86
    n-hexane 143.28
    ethylene glycol 348.65
    NMP 1253.44
    cyclohexane 144.67
    DMSO 681.82
    n-butyl acetate 212.79
    n-octanol 214.3
    chloroform 916.77
    n-propyl acetate 214.45
    acetic acid 1576.36
    dichloromethane 831.87
    cyclohexanone 663.4
    propylene glycol 378.47
    isopropyl acetate 294.9
    DMAc 1042.49
    2-ethoxyethanol 429.87
    isopentanol 358.66
    n-heptane 57.48
    ethyl formate 382.3
    1,2-dichloroethane 458.35
    n-hexanol 321.47
    2-methoxyethanol 895.75
    isobutyl acetate 124.13
    tetrachloromethane 168.8
    n-pentyl acetate 171.24
    transcutol 932.52
    n-heptanol 117.99
    ethylbenzene 121.55
    MIBK 214.15
    2-propoxyethanol 532.42
    tert-butanol 685.52
    MTBE 457.32
    2-butoxyethanol 210.08
    propionic acid 704.12
    o-xylene 177.74
    formic acid 707.97
    diethyl ether 566.45
    m-xylene 177.64
    p-xylene 159.27
    chlorobenzene 281.88
    dimethyl carbonate 188.68
    n-octane 25.31
    formamide 557.25
    cyclopentanone 725.58
    2-pentanone 418.27
    anisole 242.65
    cyclopentyl methyl ether 551.32
    gamma-butyrolactone 910.27
    1-methoxy-2-propanol 621.88
    pyridine 477.52
    3-pentanone 365.7
    furfural 727.18
    n-dodecane 24.99
    diethylene glycol 442.2
    diisopropyl ether 150.1
    tert-amyl alcohol 572.01
    acetylacetone 482.82
    n-hexadecane 26.65
    acetophenone 211.78
    methyl propionate 456.96
    isopentyl acetate 180.09
    trichloroethylene 756.46
    n-nonanol 174.19
    cyclohexanol 547.48
    benzyl alcohol 209.08
    2-ethylhexanol 158.5
    isooctanol 91.81
    dipropyl ether 177.76
    1,2-dichlorobenzene 248.33
    ethyl lactate 134.02
    propylene carbonate 480.23
    n-methylformamide 607.15
    2-pentanol 359.87
    n-pentane 131.37
    1-propoxy-2-propanol 307.2
    1-methoxy-2-propyl acetate 262.05
    2-(2-methoxypropoxy) propanol 270.32
    mesitylene 107.39
    ε-caprolactone 648.75
    p-cymene 70.47
    epichlorohydrin 743.67
    1,1,1-trichloroethane 467.65
    2-aminoethanol 490.1
    morpholine-4-carbaldehyde 1018.14
    sulfolane 890.25
    2,2,4-trimethylpentane 60.68
    2-methyltetrahydrofuran 887.86
    n-hexyl acetate 333.14
    isooctane 32.71
    2-(2-butoxyethoxy)ethanol 335.94
    sec-butyl acetate 155.79
    tert-butyl acetate 293.04
    decalin 62.68
    glycerin 502.49
    diglyme 491.41
    acrylic acid 618.61
    isopropyl myristate 121.29
    n-butyric acid 646.73
    acetyl acetate 391.89
    di(2-ethylhexyl) phthalate 120.52
    ethyl propionate 244.29
    nitromethane 1335.59
    1,2-diethoxyethane 259.41
    benzonitrile 265.53
    trioctyl phosphate 82.5
    1-bromopropane 340.13
    gamma-valerolactone 960.64
    n-decanol 121.33
    triethyl phosphate 90.37
    4-methyl-2-pentanol 164.32
    propionitrile 405.42
    vinylene carbonate 446.79
    1,1,2-trichlorotrifluoroethane 574.04
    DMS 290.49
    cumene 89.31
    2-octanol 106.9
    2-hexanone 221.39
    octyl acetate 164.64
    limonene 118.39
    1,2-dimethoxyethane 611.29
    ethyl orthosilicate 89.87
    tributyl phosphate 109.62
    diacetone alcohol 348.21
    N,N-dimethylaniline 182.24
    acrylonitrile 456.97
    aniline 309.39
    1,3-propanediol 531.96
    bromobenzene 253.51
    dibromomethane 575.86
    1,1,2,2-tetrachloroethane 575.94
    2-methyl-cyclohexyl acetate 149.49
    tetrabutyl urea 146.86
    diisobutyl methanol 83.99
    2-phenylethanol 187.43
    styrene 148.39
    dioctyl adipate 183.54
    dimethyl sulfate 313.4
    ethyl butyrate 165.7
    methyl lactate 249.55
    butyl lactate 134.94
    diethyl carbonate 119.77
    propanediol butyl ether 251.1
    triethyl orthoformate 119.83
    p-tert-butyltoluene 76.01
    methyl 4-tert-butylbenzoate 229.9
    morpholine 956.47
    tert-butylamine 422.93
    n-dodecanol 91.21
    dimethoxymethane 554.4
    ethylene carbonate 365.16
    cyrene 246.29
    2-ethoxyethyl acetate 249.56
    2-ethylhexyl acetate 149.81
    1,2,4-trichlorobenzene 301.32
    4-methylpyridine 578.48
    dibutyl ether 192.7
    2,6-dimethyl-4-heptanol 83.99
    DEF 527.92
    dimethyl isosorbide 409.34
    tetrachloroethylene 406.86
    eugenol 198.58
    triacetin 310.41
    span 80 249.16
    1,4-butanediol 212.52
    1,1-dichloroethane 527.86
    2-methyl-1-pentanol 248.5
    methyl formate 495.55
    2-methyl-1-butanol 396.49
    n-decane 40.82
    butyronitrile 376.86
    3,7-dimethyl-1-octanol 175.24
    1-chlorooctane 133.91
    1-chlorotetradecane 54.82
    n-nonane 42.97
    undecane 30.4
    tert-butylcyclohexane 67.78
    cyclooctane 51.55
    cyclopentanol 596.74
    tetrahydropyran 771.82
    tert-amyl methyl ether 390.74
    2,5,8-trioxanonane 377.51
    1-hexene 248.76
    2-isopropoxyethanol 280.02
    2,2,2-trifluoroethanol 491.28
    methyl butyrate 294.32

    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