Butyl Formate

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  • Identifiers

    CAS number
    592-84-7

    Molecular formula
    C5H10O2

    SMILES
    CCCCOC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 96.66%
    Ethereal 83.15%
    Sweet 64.0%
    Green 63.36%
    Rummy 62.26%
    Winey 53.99%
    Apple 52.67%
    Banana 50.66%
    Cognac 43.9%
    Sharp 43.86%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -130 °F (USCG, 1999)
    • -91.5 °C
    • -90 °C

    Boiling point

    • 224.6 °F at 760 mmHg (USCG, 1999)
    • 106.10 °C. @ 760.00 mm Hg
    • 106 °C

    Flash point est.
    16.41 ˚C

    Flash point expt.

    • 64 °F (USCG, 1999)
    • 18 °C c.c.

    Solubility expt.

    • 7.56 mg/mL at 27 °C
    • Solubility in water, g/100ml at 27 °C: 0.75 (poor)
    • miscible with alcohol, ether, most organic solvents; slightly soluble inwater

  • Synonyms

    • BUTYL FORMATE
    • 592-84-7
    • n-Butyl formate
    • Formic acid, butyl ester
    • Butyl methanoate
    • n-Butyl methanoate
    • Formic acid butyl ester
    • FEMA No. 2196
    • Butylester kyseliny mravenci
    • UNII-0Y9MZ7VM9P
    • NSC 6969
    • Butylester kyseliny mravenci [Czech]
    • EINECS 209-772-5
    • HCOO(CH2)3CH3
    • 0Y9MZ7VM9P
    • UN1128
    • BRN 1742108
    • CHEBI:88514
    • AI3-25265
    • FEMA 2916
    • NSC-6969
    • BUTYL FORMATE [FHFI]
    • DTXSID2060468
    • 4-02-00-00028 (Beilstein Handbook Reference)
    • UN 1128
    • N-butylformate
    • nButyl formate
    • nButyl methanoate
    • MFCD00003296
    • Butyl formate, 97%
    • Formic acid-butyl ester
    • WLN: VHO4
    • n-Butyl formate [UN1128] [Flammable liquid]
    • SCHEMBL5847
    • Butyl formate, >=97%, FG
    • CHEMBL2270394
    • DTXCID1042576
    • NSC6969
    • BBL012218
    • STL163559
    • AKOS000120688
    • VS-03239
    • F0051
    • NS00012041
    • C21713
    • n-Butyl formate [UN1128] [Flammable liquid]
    • Q734815
    • 209-772-5

  • Applications

    Butyl formate (CAS 592-84-7) is a sweet, fruity ester used extensively in flavour and fragrance formulations to impart apple, pear, peach, raspberry, rum and chewing-gum notes thanks to its high volatility and low after-taste; in cosmetics and fine perfumery as a masking agent for ethanol odour; as a medium-polarity solvent for nitro-cellulose, acrylic, alkyd and polyurethane resins in paints, inks, varnishes, adhesives and synthetic polymers, where it improves flow, gloss and leveling; in precision cleaning of electronic components, leather finishing and herbal extraction because it evaporates rapidly and exhibits low toxicity; in laboratories as an internal standard for GC/MS, a liquid–liquid extraction solvent and an intermediate for producing formate derivatives, surfactants, bio-fuel additives and carbon-chain building blocks in organic synthesis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 746.83
    methanol 856.34
    isopropanol 450.52
    water 1.59
    ethyl acetate 463.13
    n-propanol 459.93
    acetone 932.8
    n-butanol 395.19
    acetonitrile 489.04
    DMF 1067.43
    toluene 68.48
    isobutanol 302.56
    1,4-dioxane 499.04
    methyl acetate 468.84
    THF 947.71
    2-butanone 507.11
    n-pentanol 228.66
    sec-butanol 340.94
    n-hexane 24.07
    ethylene glycol 218.73
    NMP 1069.53
    cyclohexane 42.99
    DMSO 1496.5
    n-butyl acetate 403.26
    n-octanol 134.71
    chloroform 926.03
    n-propyl acetate 272.07
    acetic acid 1447.38
    dichloromethane 1082.78
    cyclohexanone 798.13
    propylene glycol 253.03
    isopropyl acetate 224.21
    DMAc 485.49
    2-ethoxyethanol 317.59
    isopentanol 297.38
    n-heptane 23.24
    ethyl formate 367.22
    1,2-dichloroethane 664.83
    n-hexanol 283.09
    2-methoxyethanol 732.43
    isobutyl acetate 148.6
    tetrachloromethane 115.33
    n-pentyl acetate 196.48
    transcutol 1307.44
    n-heptanol 110.82
    ethylbenzene 54.42
    MIBK 177.15
    2-propoxyethanol 430.74
    tert-butanol 477.55
    MTBE 212.85
    2-butoxyethanol 229.2
    propionic acid 706.63
    o-xylene 66.77
    formic acid 387.52
    diethyl ether 200.66
    m-xylene 63.08
    p-xylene 80.84
    chlorobenzene 245.11
    dimethyl carbonate 128.8
    n-octane 9.82
    formamide 481.33
    cyclopentanone 1098.34
    2-pentanone 382.08
    anisole 157.04
    cyclopentyl methyl ether 302.36
    gamma-butyrolactone 1408.56
    1-methoxy-2-propanol 506.34
    pyridine 533.99
    3-pentanone 221.06
    furfural 993.28
    n-dodecane 9.72
    diethylene glycol 380.27
    diisopropyl ether 52.8
    tert-amyl alcohol 350.73
    acetylacetone 497.6
    n-hexadecane 11.07
    acetophenone 199.31
    methyl propionate 336.76
    isopentyl acetate 327.79
    trichloroethylene 1402.02
    n-nonanol 114.05
    cyclohexanol 332.95
    benzyl alcohol 165.81
    2-ethylhexanol 167.43
    isooctanol 92.76
    dipropyl ether 143.69
    1,2-dichlorobenzene 266.81
    ethyl lactate 153.14
    propylene carbonate 656.41
    n-methylformamide 657.23
    2-pentanol 232.46
    n-pentane 20.67
    1-propoxy-2-propanol 358.82
    1-methoxy-2-propyl acetate 315.45
    2-(2-methoxypropoxy) propanol 279.31
    mesitylene 50.31
    ε-caprolactone 640.1
    p-cymene 68.21
    epichlorohydrin 1063.77
    1,1,1-trichloroethane 509.34
    2-aminoethanol 354.16
    morpholine-4-carbaldehyde 708.36
    sulfolane 1633.12
    2,2,4-trimethylpentane 15.18
    2-methyltetrahydrofuran 649.15
    n-hexyl acetate 301.89
    isooctane 11.69
    2-(2-butoxyethoxy)ethanol 389.26
    sec-butyl acetate 155.72
    tert-butyl acetate 237.88
    decalin 24.57
    glycerin 334.57
    diglyme 626.88
    acrylic acid 717.74
    isopropyl myristate 103.74
    n-butyric acid 848.25
    acetyl acetate 326.53
    di(2-ethylhexyl) phthalate 120.45
    ethyl propionate 221.4
    nitromethane 1695.28
    1,2-diethoxyethane 277.66
    benzonitrile 286.11
    trioctyl phosphate 91.17
    1-bromopropane 269.64
    gamma-valerolactone 1096.07
    n-decanol 85.28
    triethyl phosphate 110.41
    4-methyl-2-pentanol 114.16
    propionitrile 341.34
    vinylene carbonate 543.74
    1,1,2-trichlorotrifluoroethane 773.55
    DMS 248.48
    cumene 51.39
    2-octanol 86.51
    2-hexanone 254.6
    octyl acetate 143.69
    limonene 107.22
    1,2-dimethoxyethane 471.19
    ethyl orthosilicate 96.46
    tributyl phosphate 122.95
    diacetone alcohol 378.43
    N,N-dimethylaniline 111.3
    acrylonitrile 562.13
    aniline 176.52
    1,3-propanediol 476.28
    bromobenzene 231.74
    dibromomethane 629.37
    1,1,2,2-tetrachloroethane 950.96
    2-methyl-cyclohexyl acetate 189.49
    tetrabutyl urea 158.25
    diisobutyl methanol 99.0
    2-phenylethanol 199.2
    styrene 74.6
    dioctyl adipate 184.65
    dimethyl sulfate 273.32
    ethyl butyrate 246.2
    methyl lactate 234.96
    butyl lactate 211.51
    diethyl carbonate 174.37
    propanediol butyl ether 317.72
    triethyl orthoformate 150.22
    p-tert-butyltoluene 65.25
    methyl 4-tert-butylbenzoate 211.23
    morpholine 682.55
    tert-butylamine 241.33
    n-dodecanol 64.09
    dimethoxymethane 309.2
    ethylene carbonate 395.9
    cyrene 243.72
    2-ethoxyethyl acetate 268.24
    2-ethylhexyl acetate 223.61
    1,2,4-trichlorobenzene 315.82
    4-methylpyridine 371.99
    dibutyl ether 140.0
    2,6-dimethyl-4-heptanol 99.0
    DEF 415.99
    dimethyl isosorbide 438.69
    tetrachloroethylene 640.98
    eugenol 239.71
    triacetin 302.66
    span 80 300.28
    1,4-butanediol 166.25
    1,1-dichloroethane 590.7
    2-methyl-1-pentanol 194.09
    methyl formate 469.04
    2-methyl-1-butanol 265.6
    n-decane 14.96
    butyronitrile 372.49
    3,7-dimethyl-1-octanol 145.43
    1-chlorooctane 79.04
    1-chlorotetradecane 32.17
    n-nonane 14.95
    undecane 11.72
    tert-butylcyclohexane 23.03
    cyclooctane 11.36
    cyclopentanol 518.48
    tetrahydropyran 518.94
    tert-amyl methyl ether 152.66
    2,5,8-trioxanonane 442.37
    1-hexene 96.94
    2-isopropoxyethanol 214.79
    2,2,2-trifluoroethanol 356.46
    methyl butyrate 349.38

    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