Isoamyl formate

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  • Identifiers

    CAS number
    110-45-2

    Molecular formula
    C6H12O2

    SMILES
    CC(C)CCOC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 96.69%
    Green 81.7%
    Ethereal 69.23%
    Sweet 68.34%
    Apple 65.02%
    Banana 60.79%
    Winey 50.7%
    Fresh 48.01%
    Rummy 46.81%
    Pineapple 44.34%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.98 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -93.5 °C

    Boiling point

    • 123.00 to 124.00 °C. @ 760.00 mm Hg

    Flash point est.
    24.0 ˚C

    Solubility expt.

    • 3.5 mg/mL at 25 °C
    • soluble in ethanol, most fixed oils and propylene glycol, slightly soluble in water, insoluble in glycerol
    • 1ml in 40ml 60% ethanol (in ethanol)

  • Synonyms

    • Isopentyl formate
    • ISOAMYL FORMATE
    • 110-45-2
    • 3-Methylbutyl formate
    • Isoamyl methanoate
    • Isopentyl methanoate
    • Isopentyl alcohol, formate
    • 1-Butanol, 3-methyl-, formate
    • Formic acid, isopentyl ester
    • 3-Methyl-1-butyl formate
    • FEMA No. 2069
    • Formic Acid Isoamyl Ester
    • iso-Amyl Formate
    • NSC 6530
    • EINECS 203-769-2
    • BRN 1739893
    • 3-Methyl-1-butanol 1-formate
    • UNII-50L53EN043
    • AI3-15291
    • NSC-6530
    • 1-Butanol, 3-methyl-, 1-formate
    • 50L53EN043
    • ISOAMYL FORMATE [MI]
    • ISOAMYL FORMATE [FCC]
    • ISOAMYL FORMATE [FHFI]
    • CHEBI:31726
    • DTXSID00861734
    • FORMIC ACID, 3-METHYLBUTYL ESTER
    • WE(4:1(2)(3Me)/1:0)
    • Isoamylformiat
    • 1-Butanol, formate
    • MFCD00021049
    • Isopentyl formic acid
    • Isoamyl methanoic acid
    • 2-methyl butyl formate
    • Isopentyl methanoic acid
    • Formate, isopentyl ester
    • 3-Methylbutyl formic acid
    • formic acid isopentyl ester
    • SCHEMBL93241
    • Isopentyl formate, >=95.0%
    • 3-Methyl-2-butenyl formic acid
    • Isoamyl formate, >=97%, FG
    • WLN: VHO2Y1 & 1
    • DTXCID40810620
    • NSC6530
    • LMFA07010575
    • AKOS008996496
    • F0054
    • NS00012656
    • Q15726046

  • Applications

    Isoamyl formate (CAS 110-45-2) is a naturally occurring ester with a characteristic pear-like scent that finds wide application in the flavor and fragrance industry (imparting fruity notes to candies, soft drinks, alcoholic beverages and chewable pharmaceuticals), in premium perfumes and cosmetics (masking off-odors while adding fresh fruit top notes), in e-cigarette liquids, scented candles, household cleaners, and as a fast-evaporating solvent for flexographic inks, nitrocellulose lacquers, adhesives and essential-oil extractions; moreover, thanks to its ready biodegradability and low toxicity, it serves as an eco-friendly substitute for chlorinated solvents, as an intermediate for more complex esters, as a high-octane fuel additive, and is being studied as an insect attractant component in biologically based crop-protection traps.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 224.85
    methanol 189.22
    isopropanol 167.38
    water 1.4
    ethyl acetate 158.96
    n-propanol 167.73
    acetone 247.95
    n-butanol 146.52
    acetonitrile 131.5
    DMF 264.4
    toluene 21.82
    isobutanol 126.83
    1,4-dioxane 179.79
    methyl acetate 176.82
    THF 452.61
    2-butanone 180.5
    n-pentanol 78.78
    sec-butanol 141.96
    n-hexane 10.19
    ethylene glycol 81.13
    NMP 459.22
    cyclohexane 15.49
    DMSO 405.98
    n-butyl acetate 188.39
    n-octanol 70.0
    chloroform 444.78
    n-propyl acetate 107.77
    acetic acid 546.66
    dichloromethane 381.74
    cyclohexanone 339.67
    propylene glycol 139.96
    isopropyl acetate 96.08
    DMAc 196.3
    2-ethoxyethanol 117.7
    isopentanol 118.35
    n-heptane 11.23
    ethyl formate 130.01
    1,2-dichloroethane 213.17
    n-hexanol 148.35
    2-methoxyethanol 263.06
    isobutyl acetate 73.6
    tetrachloromethane 61.45
    n-pentyl acetate 92.42
    transcutol 582.7
    n-heptanol 67.1
    ethylbenzene 24.67
    MIBK 79.34
    2-propoxyethanol 234.78
    tert-butanol 214.92
    MTBE 85.87
    2-butoxyethanol 128.27
    propionic acid 313.48
    o-xylene 30.26
    formic acid 135.73
    diethyl ether 51.79
    m-xylene 28.1
    p-xylene 39.62
    chlorobenzene 93.29
    dimethyl carbonate 64.0
    n-octane 4.77
    formamide 151.17
    cyclopentanone 523.94
    2-pentanone 124.81
    anisole 75.59
    cyclopentyl methyl ether 136.02
    gamma-butyrolactone 666.87
    1-methoxy-2-propanol 214.07
    pyridine 171.57
    3-pentanone 86.44
    furfural 462.12
    n-dodecane 4.97
    diethylene glycol 194.73
    diisopropyl ether 23.84
    tert-amyl alcohol 171.58
    acetylacetone 200.08
    n-hexadecane 5.53
    acetophenone 104.56
    methyl propionate 135.35
    isopentyl acetate 169.42
    trichloroethylene 599.32
    n-nonanol 61.66
    cyclohexanol 148.21
    benzyl alcohol 80.4
    2-ethylhexanol 92.91
    isooctanol 57.82
    dipropyl ether 65.84
    1,2-dichlorobenzene 133.37
    ethyl lactate 90.25
    propylene carbonate 356.23
    n-methylformamide 180.45
    2-pentanol 89.79
    n-pentane 7.33
    1-propoxy-2-propanol 203.95
    1-methoxy-2-propyl acetate 191.73
    2-(2-methoxypropoxy) propanol 174.73
    mesitylene 25.01
    ε-caprolactone 301.72
    p-cymene 42.03
    epichlorohydrin 467.1
    1,1,1-trichloroethane 241.52
    2-aminoethanol 148.27
    morpholine-4-carbaldehyde 291.06
    sulfolane 820.92
    2,2,4-trimethylpentane 8.98
    2-methyltetrahydrofuran 283.83
    n-hexyl acetate 154.16
    isooctane 6.88
    2-(2-butoxyethoxy)ethanol 214.77
    sec-butyl acetate 73.35
    tert-butyl acetate 127.17
    decalin 12.41
    glycerin 182.37
    diglyme 308.62
    acrylic acid 300.32
    isopropyl myristate 61.64
    n-butyric acid 355.4
    acetyl acetate 136.9
    di(2-ethylhexyl) phthalate 79.72
    ethyl propionate 96.63
    nitromethane 534.65
    1,2-diethoxyethane 108.71
    benzonitrile 119.44
    trioctyl phosphate 58.56
    1-bromopropane 85.75
    gamma-valerolactone 508.26
    n-decanol 47.76
    triethyl phosphate 70.06
    4-methyl-2-pentanol 58.06
    propionitrile 110.48
    vinylene carbonate 276.69
    1,1,2-trichlorotrifluoroethane 437.39
    DMS 136.66
    cumene 28.83
    2-octanol 47.65
    2-hexanone 98.09
    octyl acetate 81.24
    limonene 62.06
    1,2-dimethoxyethane 157.18
    ethyl orthosilicate 60.78
    tributyl phosphate 75.94
    diacetone alcohol 204.45
    N,N-dimethylaniline 58.23
    acrylonitrile 170.72
    aniline 73.78
    1,3-propanediol 192.02
    bromobenzene 82.92
    dibromomethane 226.44
    1,1,2,2-tetrachloroethane 464.89
    2-methyl-cyclohexyl acetate 131.34
    tetrabutyl urea 90.47
    diisobutyl methanol 61.12
    2-phenylethanol 117.57
    styrene 28.0
    dioctyl adipate 112.2
    dimethyl sulfate 141.96
    ethyl butyrate 124.01
    methyl lactate 132.89
    butyl lactate 118.23
    diethyl carbonate 96.03
    propanediol butyl ether 177.56
    triethyl orthoformate 86.23
    p-tert-butyltoluene 43.79
    methyl 4-tert-butylbenzoate 145.08
    morpholine 248.26
    tert-butylamine 110.45
    n-dodecanol 37.34
    dimethoxymethane 102.87
    ethylene carbonate 194.86
    cyrene 175.56
    2-ethoxyethyl acetate 128.77
    2-ethylhexyl acetate 119.32
    1,2,4-trichlorobenzene 176.89
    4-methylpyridine 126.7
    dibutyl ether 54.53
    2,6-dimethyl-4-heptanol 61.12
    DEF 134.66
    dimethyl isosorbide 310.84
    tetrachloroethylene 292.97
    eugenol 146.37
    triacetin 178.09
    span 80 189.39
    1,4-butanediol 67.96
    1,1-dichloroethane 226.39
    2-methyl-1-pentanol 76.34
    methyl formate 148.92
    2-methyl-1-butanol 110.17
    n-decane 7.08
    butyronitrile 109.45
    3,7-dimethyl-1-octanol 83.69
    1-chlorooctane 36.04
    1-chlorotetradecane 16.35
    n-nonane 6.48
    undecane 5.83
    tert-butylcyclohexane 13.56
    cyclooctane 5.01
    cyclopentanol 249.19
    tetrahydropyran 176.69
    tert-amyl methyl ether 68.57
    2,5,8-trioxanonane 232.93
    1-hexene 35.04
    2-isopropoxyethanol 92.82
    2,2,2-trifluoroethanol 179.74
    methyl butyrate 138.92

    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