Propyl formate

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  • Identifiers

    CAS number
    110-74-7

    Molecular formula
    C4H8O2

    SMILES
    CCCOC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 95.68%
    Ethereal 88.07%
    Rummy 68.42%
    Sweet 62.67%
    Green 59.94%
    Winey 56.37%
    Fresh 46.89%
    Apple 46.89%
    Sharp 46.03%
    Pungent 43.25%

     

    Flavor
    Fruity 75.03%
    Bitter 66.37%
    Green 64.92%
    Ethereal 64.27%
    Sweet 57.61%
    Rum 45.7%
    Pungent 44.91%
    Ether 40.89%
    Alcohol 38.63%
    Apple 37.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.56 (neutral)

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -92.9 °C

    Boiling point

    • 80.00 to 82.00 °C. @ 760.00 mm Hg

    Flash point

    • -2.9 ˚C est.
    • 27 °F (NFPA, 2010)

    Solubility expt.

    • 22 mg/mL at 22 °C
    • miscible with alcohol, ether, most organic solvents; soluble in 1 ml in 45 ml water

  • Synonyms

    • PROPYL FORMATE
    • 110-74-7
    • Formic acid, propyl ester
    • n-Propyl formate
    • Propyl methanoate
    • Formiate de propyle
    • Propylester kyseliny mravenci
    • FEMA No. 2943
    • Formiate de propyle [French]
    • UNII-WO1ARV6GTW
    • WO1ARV6GTW
    • HCOOCH2CH2CH3
    • Propyl ester of formic acid
    • EINECS 203-798-0
    • Propylester kyseliny mravenci [Czech]
    • UN1281
    • n-Propyl methanoate
    • BRN 1739272
    • AI3-24243
    • PROPYL FORMATE [MI]
    • PROPYL FORMATE [FCC]
    • PROPYL FORMATE [FHFI]
    • DTXSID3059391
    • FEMA 2943
    • 4-02-00-00026 (Beilstein Handbook Reference)
    • Formic Acid Propyl Ester
    • propyl ormate
    • nPropyl formate
    • Propyl formates
    • propyl form ate
    • Propyl formic acid
    • Formiatos de propilo
    • MFCD00003295
    • Propyl formate, 97%
    • Propyl formate, >=97%
    • Propyl formates [UN1281] [Flammable liquid]
    • CHEMBL2270393
    • DTXCID6033166
    • CHEBI:173323
    • Formiatos de propilo (Spanish DOT)
    • STL280312
    • AKOS015892831
    • DB-040939
    • F0058
    • NS00021517
    • Propyl formates [UN1281] [Flammable liquid]
    • Q421045
    • 203-798-0

  • Applications

    Propyl formate (also known as n-propyl formate, formula C4H9COOCHO, CAS 110-74-7) is a fragrant ester commonly used as a fruity flavoring agent in foods and beverages, a fragrance ingredient in perfumes and cosmetics, a fast-evaporating solvent for paints, printing inks and industrial cleaners, as well as an intermediate in the synthesis of pharmaceuticals and higher esters, meeting the demand for solvents with pleasant odor, good solvency and suitable volatility in various industrial processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 715.14
    methanol 1347.69
    isopropanol 372.95
    water 9.27
    ethyl acetate 248.59
    n-propanol 370.46
    acetone 500.67
    n-butanol 324.59
    acetonitrile 416.69
    DMF 909.77
    toluene 67.73
    isobutanol 224.91
    1,4-dioxane 412.75
    methyl acetate 299.4
    THF 472.42
    2-butanone 267.36
    n-pentanol 212.32
    sec-butanol 245.34
    n-hexane 25.81
    ethylene glycol 309.71
    NMP 574.12
    cyclohexane 35.63
    DMSO 853.95
    n-butyl acetate 263.4
    n-octanol 113.58
    chloroform 565.23
    n-propyl acetate 167.17
    acetic acid 1374.48
    dichloromethane 596.67
    cyclohexanone 358.1
    propylene glycol 221.28
    isopropyl acetate 120.59
    DMAc 440.47
    2-ethoxyethanol 330.63
    isopentanol 216.21
    n-heptane 22.28
    ethyl formate 281.5
    1,2-dichloroethane 348.27
    n-hexanol 231.47
    2-methoxyethanol 722.1
    isobutyl acetate 96.96
    tetrachloromethane 91.85
    n-pentyl acetate 134.76
    transcutol 992.06
    n-heptanol 95.56
    ethylbenzene 49.98
    MIBK 108.25
    2-propoxyethanol 377.08
    tert-butanol 334.49
    MTBE 172.41
    2-butoxyethanol 199.71
    propionic acid 460.89
    o-xylene 59.43
    formic acid 659.26
    diethyl ether 176.16
    m-xylene 53.24
    p-xylene 69.69
    chlorobenzene 177.54
    dimethyl carbonate 91.6
    n-octane 10.15
    formamide 573.72
    cyclopentanone 409.11
    2-pentanone 202.99
    anisole 133.28
    cyclopentyl methyl ether 166.74
    gamma-butyrolactone 559.38
    1-methoxy-2-propanol 378.0
    pyridine 392.45
    3-pentanone 126.28
    furfural 587.67
    n-dodecane 10.62
    diethylene glycol 391.9
    diisopropyl ether 40.84
    tert-amyl alcohol 253.99
    acetylacetone 246.89
    n-hexadecane 11.74
    acetophenone 145.61
    methyl propionate 193.43
    isopentyl acetate 205.47
    trichloroethylene 675.27
    n-nonanol 93.88
    cyclohexanol 215.34
    benzyl alcohol 151.48
    2-ethylhexanol 125.95
    isooctanol 73.27
    dipropyl ether 107.52
    1,2-dichlorobenzene 170.51
    ethyl lactate 112.24
    propylene carbonate 305.47
    n-methylformamide 549.17
    2-pentanol 160.15
    n-pentane 24.43
    1-propoxy-2-propanol 270.17
    1-methoxy-2-propyl acetate 198.93
    2-(2-methoxypropoxy) propanol 229.67
    mesitylene 39.46
    ε-caprolactone 328.46
    p-cymene 53.5
    epichlorohydrin 473.46
    1,1,1-trichloroethane 262.66
    2-aminoethanol 398.83
    morpholine-4-carbaldehyde 553.83
    sulfolane 600.9
    2,2,4-trimethylpentane 15.28
    2-methyltetrahydrofuran 321.85
    n-hexyl acetate 192.65
    isooctane 11.14
    2-(2-butoxyethoxy)ethanol 309.36
    sec-butyl acetate 96.84
    tert-butyl acetate 129.56
    decalin 20.9
    glycerin 308.0
    diglyme 498.88
    acrylic acid 529.63
    isopropyl myristate 70.8
    n-butyric acid 505.08
    acetyl acetate 182.05
    di(2-ethylhexyl) phthalate 93.62
    ethyl propionate 132.73
    nitromethane 1052.68
    1,2-diethoxyethane 238.35
    benzonitrile 229.12
    trioctyl phosphate 68.3
    1-bromopropane 182.74
    gamma-valerolactone 549.5
    n-decanol 69.72
    triethyl phosphate 78.34
    4-methyl-2-pentanol 81.45
    propionitrile 265.1
    vinylene carbonate 322.28
    1,1,2-trichlorotrifluoroethane 504.62
    DMS 162.77
    cumene 41.69
    2-octanol 67.62
    2-hexanone 158.15
    octyl acetate 100.52
    limonene 83.28
    1,2-dimethoxyethane 459.84
    ethyl orthosilicate 71.9
    tributyl phosphate 89.35
    diacetone alcohol 196.19
    N,N-dimethylaniline 98.44
    acrylonitrile 405.8
    aniline 150.39
    1,3-propanediol 454.53
    bromobenzene 159.82
    dibromomethane 367.39
    1,1,2,2-tetrachloroethane 472.95
    2-methyl-cyclohexyl acetate 114.49
    tetrabutyl urea 118.25
    diisobutyl methanol 75.25
    2-phenylethanol 157.17
    styrene 75.44
    dioctyl adipate 121.47
    dimethyl sulfate 165.01
    ethyl butyrate 155.42
    methyl lactate 159.79
    butyl lactate 146.64
    diethyl carbonate 113.21
    propanediol butyl ether 248.94
    triethyl orthoformate 105.1
    p-tert-butyltoluene 51.57
    methyl 4-tert-butylbenzoate 140.67
    morpholine 523.21
    tert-butylamine 201.03
    n-dodecanol 53.84
    dimethoxymethane 291.46
    ethylene carbonate 225.42
    cyrene 169.6
    2-ethoxyethyl acetate 195.24
    2-ethylhexyl acetate 142.75
    1,2,4-trichlorobenzene 197.01
    4-methylpyridine 300.14
    dibutyl ether 106.84
    2,6-dimethyl-4-heptanol 75.25
    DEF 307.83
    dimethyl isosorbide 294.59
    tetrachloroethylene 368.7
    eugenol 181.09
    triacetin 191.56
    span 80 215.25
    1,4-butanediol 192.7
    1,1-dichloroethane 302.48
    2-methyl-1-pentanol 165.22
    methyl formate 388.84
    2-methyl-1-butanol 200.26
    n-decane 15.52
    butyronitrile 290.71
    3,7-dimethyl-1-octanol 115.09
    1-chlorooctane 63.4
    1-chlorotetradecane 28.86
    n-nonane 15.13
    undecane 12.4
    tert-butylcyclohexane 21.15
    cyclooctane 11.68
    cyclopentanol 278.38
    tetrahydropyran 329.95
    tert-amyl methyl ether 127.89
    2,5,8-trioxanonane 371.72
    1-hexene 89.28
    2-isopropoxyethanol 191.64
    2,2,2-trifluoroethanol 320.75
    methyl butyrate 209.24

    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