sec-Butyl formate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    589-40-2

    Molecular formula
    C5H10O2

    SMILES
    CCC(C)OC=O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 95.63%
    Ethereal 74.71%
    Green 52.92%
    Sweet 52.91%
    Rummy 52.2%
    Fresh 48.92%
    Apple 47.53%
    Banana 46.06%
    Winey 42.22%
    Sharp 37.87%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.9 (neutral)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    92°C

    Flash point est.
    7.92 ˚C

  • Synonyms

    • sec-Butyl formate
    • 589-40-2
    • Formic acid, 1-methylpropyl ester
    • sec-Butyl methanoate
    • 2-Butyl formate
    • Formic acid, sec-butyl ester
    • s-Butyl formate
    • NSC 8430
    • DTXSID80862249
    • butan-2-yl formate
    • ButylFormate
    • Sec-butyl formic acid
    • SCHEMBL27984
    • DTXCID10811043
    • NSC8430
    • NSC-8430
    • MFCD02313516
    • AKOS025296146
    • NS00096140
    • 611-764-5

  • Applications

    sec-Butyl formate is a volatile, fruity-smelling ester used as a specialty solvent in coatings, printing inks, and adhesives due to fast evaporation and strong solvency for acrylics, nitrocellulose, and polyester resins; as an extraction solvent and viscosity modifier in surface-cleaning formulations; as an intermediate to access sec-butyl derivatives via hydrolysis to sec-butanol or transesterification, and in other organic transformations; at trace levels as a flavor and fragrance ingredient imparting light fruity, rum-like notes in foods and industrial perfumes where permitted; and in R&D and pilot processes as a reaction solvent, reference standard, and medium for studying esterification, hydrolysis, and selective reduction kinetics.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 294.93
    methanol 440.84
    isopropanol 201.71
    water 4.03
    ethyl acetate 130.37
    n-propanol 197.35
    acetone 196.35
    n-butanol 167.39
    acetonitrile 184.85
    DMF 338.33
    toluene 49.77
    isobutanol 130.62
    1,4-dioxane 305.89
    methyl acetate 164.8
    THF 316.67
    2-butanone 142.56
    n-pentanol 113.14
    sec-butanol 154.73
    n-hexane 14.4
    ethylene glycol 118.1
    NMP 310.65
    cyclohexane 21.37
    DMSO 337.01
    n-butyl acetate 114.78
    n-octanol 65.73
    chloroform 411.49
    n-propyl acetate 71.59
    acetic acid 386.71
    dichloromethane 334.64
    cyclohexanone 222.39
    propylene glycol 128.37
    isopropyl acetate 65.12
    DMAc 219.28
    2-ethoxyethanol 155.77
    isopentanol 128.64
    n-heptane 10.68
    ethyl formate 108.79
    1,2-dichloroethane 188.07
    n-hexanol 139.56
    2-methoxyethanol 317.58
    isobutyl acetate 45.88
    tetrachloromethane 69.14
    n-pentyl acetate 66.91
    transcutol 539.45
    n-heptanol 55.07
    ethylbenzene 34.55
    MIBK 62.94
    2-propoxyethanol 215.22
    tert-butanol 230.96
    MTBE 111.18
    2-butoxyethanol 106.65
    propionic acid 229.79
    o-xylene 48.47
    formic acid 180.41
    diethyl ether 93.38
    m-xylene 42.47
    p-xylene 48.09
    chlorobenzene 110.18
    dimethyl carbonate 39.28
    n-octane 5.12
    formamide 160.8
    cyclopentanone 255.5
    2-pentanone 100.53
    anisole 84.82
    cyclopentyl methyl ether 115.11
    gamma-butyrolactone 324.83
    1-methoxy-2-propanol 203.2
    pyridine 226.48
    3-pentanone 70.77
    furfural 308.7
    n-dodecane 5.69
    diethylene glycol 201.75
    diisopropyl ether 24.7
    tert-amyl alcohol 175.06
    acetylacetone 126.42
    n-hexadecane 6.35
    acetophenone 83.5
    methyl propionate 96.12
    isopentyl acetate 104.15
    trichloroethylene 377.59
    n-nonanol 56.43
    cyclohexanol 143.97
    benzyl alcohol 88.46
    2-ethylhexanol 78.54
    isooctanol 45.3
    dipropyl ether 54.74
    1,2-dichlorobenzene 107.75
    ethyl lactate 55.16
    propylene carbonate 164.23
    n-methylformamide 185.95
    2-pentanol 93.56
    n-pentane 12.86
    1-propoxy-2-propanol 149.15
    1-methoxy-2-propyl acetate 108.76
    2-(2-methoxypropoxy) propanol 141.74
    mesitylene 30.01
    ε-caprolactone 209.44
    p-cymene 33.52
    epichlorohydrin 283.4
    1,1,1-trichloroethane 187.22
    2-aminoethanol 178.68
    morpholine-4-carbaldehyde 306.35
    sulfolane 370.16
    2,2,4-trimethylpentane 9.94
    2-methyltetrahydrofuran 237.46
    n-hexyl acetate 107.23
    isooctane 6.81
    2-(2-butoxyethoxy)ethanol 177.78
    sec-butyl acetate 50.28
    tert-butyl acetate 80.62
    decalin 13.51
    glycerin 160.47
    diglyme 269.19
    acrylic acid 231.79
    isopropyl myristate 43.97
    n-butyric acid 226.0
    acetyl acetate 95.07
    di(2-ethylhexyl) phthalate 56.42
    ethyl propionate 66.83
    nitromethane 407.41
    1,2-diethoxyethane 129.49
    benzonitrile 127.8
    trioctyl phosphate 37.91
    1-bromopropane 104.61
    gamma-valerolactone 324.8
    n-decanol 43.46
    triethyl phosphate 45.48
    4-methyl-2-pentanol 54.0
    propionitrile 144.61
    vinylene carbonate 156.17
    1,1,2-trichlorotrifluoroethane 258.88
    DMS 94.58
    cumene 29.39
    2-octanol 40.41
    2-hexanone 76.9
    octyl acetate 57.21
    limonene 50.8
    1,2-dimethoxyethane 217.55
    ethyl orthosilicate 41.9
    tributyl phosphate 50.05
    diacetone alcohol 126.13
    N,N-dimethylaniline 60.45
    acrylonitrile 196.45
    aniline 96.96
    1,3-propanediol 207.55
    bromobenzene 101.75
    dibromomethane 214.29
    1,1,2,2-tetrachloroethane 306.12
    2-methyl-cyclohexyl acetate 70.22
    tetrabutyl urea 60.83
    diisobutyl methanol 46.32
    2-phenylethanol 100.2
    styrene 44.19
    dioctyl adipate 74.36
    dimethyl sulfate 80.36
    ethyl butyrate 73.71
    methyl lactate 81.89
    butyl lactate 74.55
    diethyl carbonate 59.16
    propanediol butyl ether 127.26
    triethyl orthoformate 56.31
    p-tert-butyltoluene 33.65
    methyl 4-tert-butylbenzoate 89.49
    morpholine 353.06
    tert-butylamine 130.41
    n-dodecanol 33.93
    dimethoxymethane 114.32
    ethylene carbonate 118.14
    cyrene 110.29
    2-ethoxyethyl acetate 104.66
    2-ethylhexyl acetate 75.93
    1,2,4-trichlorobenzene 134.45
    4-methylpyridine 177.42
    dibutyl ether 56.56
    2,6-dimethyl-4-heptanol 46.32
    DEF 131.52
    dimethyl isosorbide 195.01
    tetrachloroethylene 222.98
    eugenol 103.4
    triacetin 112.51
    span 80 133.54
    1,4-butanediol 88.69
    1,1-dichloroethane 202.4
    2-methyl-1-pentanol 97.9
    methyl formate 132.92
    2-methyl-1-butanol 120.7
    n-decane 8.63
    butyronitrile 136.56
    3,7-dimethyl-1-octanol 73.3
    1-chlorooctane 36.45
    1-chlorotetradecane 16.71
    n-nonane 8.16
    undecane 6.82
    tert-butylcyclohexane 13.95
    cyclooctane 6.62
    cyclopentanol 185.74
    tetrahydropyran 220.57
    tert-amyl methyl ether 80.73
    2,5,8-trioxanonane 207.12
    1-hexene 48.96
    2-isopropoxyethanol 102.17
    2,2,2-trifluoroethanol 124.33
    methyl butyrate 93.57

    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
Truffle, black (Perigord) Tuber melanosporum, fam. Ascomycetae 0.6%