Isobutyl acetate

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  • Identifiers

    CAS number
    110-19-0

    Molecular formula
    C6H12O2

    SMILES
    CC(C)COC(=O)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 781.0
    • Carbowax: 1010.67

  • Odor profile

    Fruity 97.75%
    Sweet 89.44%
    Ethereal 79.82%
    Banana 71.95%
    Apple 59.36%
    Pineapple 58.82%
    Rummy 58.22%
    Pear 54.18%
    Tropical 43.69%
    Ripe 41.41%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.36 [mmHg]. Odor Threshold High: 3.6 [mmHg]. Detection odor threshold from AIHA (mean = 1.1 ppm)
    • Air: 0.64 ul/l; odor safety class B; B= 50-90% of distracted persons perceive warning of TLV
    • Odor detection in water 4.0 ppb
    • Detection in air 6.0X10-3 ppm
    • Recognition in air 3.70X10-2 ppm
    • For more Odor Threshold (Complete) data for ISOBUTYL ACETATE (10 total), please visit the HSDB record page.

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -142.8 °F (USCG, 1999)
    • -98.8 °C
    • -98.85 °C
    • -99 °C
    • -145 °F

    Boiling point

    • 243.1 °F at 760 mmHg (USCG, 1999)
    • 116.5 °C
    • 116.50 °C. @ 760.00 mm Hg
    • 118 °C
    • 243 °F

    Flash point est.
    23.16 ˚C

    Flash point expt.

    • 62 °F (USCG, 1999)
    • 18 °C
    • 18 °C (64 °F) (Closed cup)
    • 85 °F (Open cup)
    • 18 °C c.c.
    • 64 °F

    Solubility expt.

    • 0.6 % at 77 °F (NIOSH, 2024)
    • Miscible with ethanol, ether and methanol; soluble in acetone; slightly soluble in carbon tetrachloride
    • In water: 0.67 g/100 g at 20 °C
    • In water, 6300 mg/L at 25 °C
    • 6.3 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.67
    • soluble in alcohol, most fixed oils, propylene glycol, 1 ml in 180 ml water
    • (77 °F): 0.6%

  • Synonyms

    • ISOBUTYL ACETATE
    • 110-19-0
    • 2-Methylpropyl acetate
    • Isobutyl ethanoate
    • 2-Methylpropyl ethanoate
    • Acetic acid, 2-methylpropyl ester
    • 2-Methyl-1-propyl acetate
    • Acetic acid, isobutyl ester
    • Acetate d'isobutyle
    • iso-butyl acetate
    • Isobutylacetat
    • i-butyl acetate
    • beta-Methylpropyl ethanoate
    • Acetic Acid Isobutyl Ester
    • Isobutylazetat
    • Isobutyl acetate (natural)
    • Isobutylester kyseliny octove
    • FEMA No. 2175
    • FEMA Number 2175
    • NSC 8035
    • HSDB 609
    • UNII-7CR47FO6LF
    • EINECS 203-745-1
    • 7CR47FO6LF
    • BRN 1741909
    • DTXSID5026837
    • CHEBI:50569
    • Essigsaeureisobutylester
    • AI3-15305
    • NSC-8035
    • .beta.-Methylpropyl ethanoate
    • 2-Methyl-1-propanol, acetate
    • DTXCID906837
    • EC 203-745-1
    • 4-02-00-00149 (Beilstein Handbook Reference)
    • Isobutyl acetate, 99%
    • ISOBUTYL ACETATE (USP-RS)
    • ISOBUTYL ACETATE [USP-RS]
    • Acetate d'isobutyle [French]
    • Isobutyl acetate; Acetic acid-isobutyl ester
    • MFCD00008932
    • UN1213
    • Isobutylester kyseliny octove [Czech]
    • iso-butylacetate
    • AcOiBu
    • Iso Butyl Acetate
    • Isobutyl acetate fcc
    • Tri IBAC
    • IBAC
    • Tri IsoButyl Acetate
    • Tri Iso Butyl Acetate
    • Isobutyl acetate, 8CI
    • beta-methylpropyl acetate
    • Acetic acid-isobutyl ester
    • Isobutyl acetate [UN1213] [Flammable liquid]
    • beta -methylpropyl ethanoate
    • SCHEMBL22678
    • 2-Methylpropyl acetate, 9CI
    • CHEMBL46999
    • ISOBUTYL ACETATE [MI]
    • ISOBUTYL ACETATE [FCC]
    • ISOBUTYL ACETATE [FHFI]
    • ISOBUTYL ACETATE [HSDB]
    • FEMA 2175
    • NSC8035
    • WLN: 1Y1 & 1OV1
    • Tox21_201735
    • Isobutyl acetate, analytical standard
    • STL280347
    • AKOS015901357
    • Isobutyl acetate, >=98%, FCC, FG
    • UN 1213
    • NCGC00249107-01
    • NCGC00259284-01
    • CAS-110-19-0
    • FI158968
    • LS-13178
    • A0034
    • NS00005635
    • Isobutyl acetate, natural, >=97%, FCC, FG
    • Isobutyl acetate [UN1213] [Flammable liquid]
    • Q420657
    • F0001-0218
    • Acetic acid-isobutyl ester 1000 microg/mL in Acetonitrile
    • InChI=1/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H
    • Isobutyl acetate, United States Pharmacopeia (USP) Reference Standard
    • 203-745-1
    • Acetic Acid Isobutyl Ester; 2-Methylpropyl Acetate; Isobutyl Acetate; NSC 8035; ?-Methylpropyl Rthanoate

  • Applications

    Isobutyl acetate (CAS 110-19-0) is a mildly fruity-smelling ester widely used as a medium-fast evaporating solvent in wood lacquers, automotive topcoats, nitrocellulose and acrylic coatings, printing inks, industrial cleaners, adhesives and nail-polish removers; as an extraction and flavoring agent in foods, beverages, cosmetics and perfumes; as an intermediate for pharmaceuticals and agrochemicals; and it is also being explored as a bio-gasoline component because of its clean combustion, biodegradability and fermentative production from ethanol and acetic acid, offering reduced hazardous VOCs while preserving gloss, coverage and flow in high-performance coating systems.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 319.55
    methanol 463.78
    isopropanol 349.18
    water 9.05
    ethyl acetate 130.0
    n-propanol 278.63
    acetone 261.61
    n-butanol 272.0
    acetonitrile 157.9
    DMF 415.82
    toluene 76.27
    isobutanol 246.53
    1,4-dioxane 243.41
    methyl acetate 183.39
    THF 332.42
    2-butanone 232.68
    n-pentanol 188.94
    sec-butanol 324.65
    n-hexane 60.0
    ethylene glycol 150.54
    NMP 378.02
    cyclohexane 35.86
    DMSO 267.38
    n-butyl acetate 138.56
    n-octanol 181.76
    chloroform 530.88
    n-propyl acetate 92.95
    acetic acid 278.11
    dichloromethane 360.92
    cyclohexanone 266.74
    propylene glycol 249.16
    isopropyl acetate 108.55
    DMAc 445.71
    2-ethoxyethanol 213.45
    isopentanol 242.65
    n-heptane 33.91
    ethyl formate 125.21
    1,2-dichloroethane 190.8
    n-hexanol 266.88
    2-methoxyethanol 375.38
    isobutyl acetate 84.22
    tetrachloromethane 94.45
    n-pentyl acetate 120.93
    transcutol 436.78
    n-heptanol 134.87
    ethylbenzene 76.49
    MIBK 139.74
    2-propoxyethanol 323.65
    tert-butanol 446.13
    MTBE 267.79
    2-butoxyethanol 194.24
    propionic acid 239.91
    o-xylene 88.14
    formic acid 118.98
    diethyl ether 141.88
    m-xylene 81.18
    p-xylene 107.16
    chlorobenzene 122.15
    dimethyl carbonate 60.13
    n-octane 20.43
    formamide 82.08
    cyclopentanone 310.0
    2-pentanone 164.53
    anisole 144.72
    cyclopentyl methyl ether 167.92
    gamma-butyrolactone 284.37
    1-methoxy-2-propanol 342.26
    pyridine 169.96
    3-pentanone 128.83
    furfural 309.54
    n-dodecane 20.63
    diethylene glycol 262.35
    diisopropyl ether 62.9
    tert-amyl alcohol 388.97
    acetylacetone 181.97
    n-hexadecane 22.2
    acetophenone 155.06
    methyl propionate 126.36
    isopentyl acetate 156.73
    trichloroethylene 406.75
    n-nonanol 149.73
    cyclohexanol 214.05
    benzyl alcohol 145.14
    2-ethylhexanol 160.75
    isooctanol 114.3
    dipropyl ether 100.69
    1,2-dichlorobenzene 136.85
    ethyl lactate 103.05
    propylene carbonate 208.56
    n-methylformamide 171.75
    2-pentanol 206.07
    n-pentane 43.35
    1-propoxy-2-propanol 253.83
    1-methoxy-2-propyl acetate 158.02
    2-(2-methoxypropoxy) propanol 233.03
    mesitylene 60.99
    ε-caprolactone 235.01
    p-cymene 70.85
    epichlorohydrin 273.58
    1,1,1-trichloroethane 246.96
    2-aminoethanol 224.5
    morpholine-4-carbaldehyde 345.4
    sulfolane 401.49
    2,2,4-trimethylpentane 36.55
    2-methyltetrahydrofuran 278.4
    n-hexyl acetate 217.91
    isooctane 25.67
    2-(2-butoxyethoxy)ethanol 237.73
    sec-butyl acetate 88.01
    tert-butyl acetate 148.3
    decalin 35.99
    glycerin 289.31
    diglyme 347.8
    acrylic acid 215.82
    isopropyl myristate 92.37
    n-butyric acid 259.07
    acetyl acetate 99.86
    di(2-ethylhexyl) phthalate 110.87
    ethyl propionate 89.77
    nitromethane 256.88
    1,2-diethoxyethane 139.84
    benzonitrile 164.13
    trioctyl phosphate 85.59
    1-bromopropane 162.0
    gamma-valerolactone 344.55
    n-decanol 111.54
    triethyl phosphate 77.49
    4-methyl-2-pentanol 140.33
    propionitrile 158.7
    vinylene carbonate 193.63
    1,1,2-trichlorotrifluoroethane 341.38
    DMS 141.53
    cumene 73.26
    2-octanol 114.26
    2-hexanone 143.08
    octyl acetate 119.53
    limonene 102.73
    1,2-dimethoxyethane 289.39
    ethyl orthosilicate 77.79
    tributyl phosphate 95.23
    diacetone alcohol 229.9
    N,N-dimethylaniline 131.79
    acrylonitrile 184.09
    aniline 121.49
    1,3-propanediol 247.33
    bromobenzene 119.88
    dibromomethane 252.79
    1,1,2,2-tetrachloroethane 400.54
    2-methyl-cyclohexyl acetate 128.74
    tetrabutyl urea 121.98
    diisobutyl methanol 99.41
    2-phenylethanol 158.64
    styrene 85.74
    dioctyl adipate 134.79
    dimethyl sulfate 126.76
    ethyl butyrate 96.98
    methyl lactate 144.29
    butyl lactate 135.73
    diethyl carbonate 77.51
    propanediol butyl ether 276.04
    triethyl orthoformate 87.37
    p-tert-butyltoluene 74.04
    methyl 4-tert-butylbenzoate 181.02
    morpholine 285.49
    tert-butylamine 283.86
    n-dodecanol 88.26
    dimethoxymethane 174.83
    ethylene carbonate 138.78
    cyrene 191.48
    2-ethoxyethyl acetate 136.2
    2-ethylhexyl acetate 122.43
    1,2,4-trichlorobenzene 186.62
    4-methylpyridine 215.15
    dibutyl ether 115.56
    2,6-dimethyl-4-heptanol 99.41
    DEF 196.63
    dimethyl isosorbide 271.96
    tetrachloroethylene 238.01
    eugenol 190.68
    triacetin 197.45
    span 80 229.86
    1,4-butanediol 140.19
    1,1-dichloroethane 268.17
    2-methyl-1-pentanol 186.22
    methyl formate 134.26
    2-methyl-1-butanol 237.4
    n-decane 31.52
    butyronitrile 171.4
    3,7-dimethyl-1-octanol 177.15
    1-chlorooctane 101.65
    1-chlorotetradecane 47.37
    n-nonane 32.05
    undecane 24.72
    tert-butylcyclohexane 45.74
    cyclooctane 17.27
    cyclopentanol 258.52
    tetrahydropyran 211.08
    tert-amyl methyl ether 206.93
    2,5,8-trioxanonane 276.44
    1-hexene 137.13
    2-isopropoxyethanol 176.62
    2,2,2-trifluoroethanol 107.34
    methyl butyrate 129.69

    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

Botanical

Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.01%
Narcissus tazetta (var. chinensis) headspace 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amarillidaceae 0.03%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.02%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.51%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 1.0%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.1%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.15%