Isopropyl formate

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  • Identifiers

    CAS number
    625-55-8

    Molecular formula
    C4H8O2

    SMILES
    CC(C)OC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 838.0

  • Odor profile

    Fruity 96.18%
    Ethereal 82.01%
    Sweet 66.13%
    Rummy 58.38%
    Banana 48.33%
    Winey 45.33%
    Green 44.77%
    Pineapple 44.32%
    Apple 43.87%
    Sharp 42.48%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.64 (neutral)

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -80 °C

    Boiling point

    • 68.2 °C at 760 mm Hg
    • BP: 63.3 °C
    • 67.00 to 70.00 °C. @ 760.00 mm Hg

    Flash point est.
    -4.75 ˚C

    Flash point expt.

    • 22 °F (closed cup)

    Solubility expt.

    • Slightly sol in water
    • Sol in alcohol, ether, and acetone
    • 20.7 mg/mL at 25 °C
    • slightly soluble in water; completely miscible with alcohol, ether, and most organic solvents

  • Synonyms

    • ISOPROPYL FORMATE
    • 625-55-8
    • propan-2-yl formate
    • Formic Acid Isopropyl Ester
    • Formic acid, 1-methylethyl ester
    • Isopropyl methanoate
    • Formic acid, isopropyl ester
    • 1-Methylethyl formate
    • FEMA No. 2944
    • Methylethyl formate
    • HSDB 6401
    • HCOOCH(CH3)2
    • EINECS 210-901-2
    • Formic acid, 2-propyl ester
    • UNII-H1L164W42G
    • BRN 1735844
    • Formic acid 1-methylethyl ester
    • DTXSID2027258
    • AI3-15407
    • H1L164W42G
    • ISO-PROPYL FORMATE
    • MFCD00014127
    • ISO-PROPYL METHANOATE
    • DTXCID807258
    • ISOPROPYL FORMATE [FHFI]
    • ISOPROPYL FORMATE [HSDB]
    • FEMA 2944
    • 4-02-00-00027 (Beilstein Handbook Reference)
    • Isopropyl formate, 98%
    • CAS-625-55-8
    • propan-2-yl ormate
    • 1Methylethyl formate
    • propan-2-yl methanoate
    • Propan-2-yl formic acid
    • formic acid propan-2-yl ester
    • Formic acid, 1methylethyl ester
    • CHEMBL3184082
    • CHEBI:173325
    • Tox21_201844
    • Tox21_303282
    • AKOS015915401
    • NCGC00249126-01
    • NCGC00256945-01
    • NCGC00259393-01
    • F0056
    • NS00022549
    • A833845
    • Q461068
    • 210-901-2

  • Applications

    Isopropyl formate (CAS 625-55-8) is a volatile, fruity-smelling ester used as a flavoring agent in foods and beverages (imparting fruity, rum-like, apple/banana notes) and in perfumery as a bright top-note modifier; as a fast-evaporating solvent/diluent for resins, varnishes, coatings, printing inks, and adhesives to tune viscosity and drying time; as a process solvent for extractions and quick-dry cleaning applications; as an intermediate in organic synthesis via transesterification, controlled hydrolysis, and as a formyl source in certain lab-scale transformations; as a starting material/precursor in the manufacture of flavor/fragrance ingredients, pharmaceutical intermediates, agrochemical and specialty chemicals; it also appears in R&D and quality control as a reference/internal standard for calibration and method validation in chromatography of volatile esters.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.7
    methanol 188.51
    isopropanol 72.55
    water 15.15
    ethyl acetate 50.57
    n-propanol 68.59
    acetone 100.89
    n-butanol 53.62
    acetonitrile 80.52
    DMF 170.19
    toluene 10.84
    isobutanol 43.44
    1,4-dioxane 103.64
    methyl acetate 71.79
    THF 157.28
    2-butanone 58.18
    n-pentanol 27.93
    sec-butanol 55.85
    n-hexane 6.22
    ethylene glycol 70.6
    NMP 246.95
    cyclohexane 9.08
    DMSO 127.49
    n-butyl acetate 34.18
    n-octanol 29.65
    chloroform 172.72
    n-propyl acetate 25.03
    acetic acid 366.54
    dichloromethane 120.27
    cyclohexanone 96.6
    propylene glycol 75.79
    isopropyl acetate 27.21
    DMAc 148.99
    2-ethoxyethanol 51.22
    isopentanol 33.62
    n-heptane 5.26
    ethyl formate 41.38
    1,2-dichloroethane 57.43
    n-hexanol 41.53
    2-methoxyethanol 134.45
    isobutyl acetate 15.94
    tetrachloromethane 22.32
    n-pentyl acetate 24.83
    transcutol 188.76
    n-heptanol 20.2
    ethylbenzene 9.73
    MIBK 21.26
    2-propoxyethanol 75.87
    tert-butanol 81.54
    MTBE 31.72
    2-butoxyethanol 38.85
    propionic acid 141.39
    o-xylene 15.92
    formic acid 137.39
    diethyl ether 29.54
    m-xylene 12.19
    p-xylene 15.4
    chlorobenzene 32.73
    dimethyl carbonate 24.26
    n-octane 2.55
    formamide 111.86
    cyclopentanone 141.14
    2-pentanone 36.86
    anisole 28.4
    cyclopentyl methyl ether 47.71
    gamma-butyrolactone 188.79
    1-methoxy-2-propanol 87.66
    pyridine 70.41
    3-pentanone 33.86
    furfural 157.77
    n-dodecane 3.02
    diethylene glycol 85.1
    diisopropyl ether 8.63
    tert-amyl alcohol 64.63
    acetylacetone 60.26
    n-hexadecane 3.26
    acetophenone 35.36
    methyl propionate 49.45
    isopentyl acetate 31.87
    trichloroethylene 134.78
    n-nonanol 26.63
    cyclohexanol 60.1
    benzyl alcohol 30.81
    2-ethylhexanol 26.46
    isooctanol 16.48
    dipropyl ether 20.41
    1,2-dichlorobenzene 40.9
    ethyl lactate 29.4
    propylene carbonate 97.37
    n-methylformamide 93.84
    2-pentanol 33.18
    n-pentane 5.48
    1-propoxy-2-propanol 52.9
    1-methoxy-2-propyl acetate 44.68
    2-(2-methoxypropoxy) propanol 69.79
    mesitylene 9.52
    ε-caprolactone 98.55
    p-cymene 14.31
    epichlorohydrin 109.76
    1,1,1-trichloroethane 63.68
    2-aminoethanol 86.86
    morpholine-4-carbaldehyde 160.2
    sulfolane 219.06
    2,2,4-trimethylpentane 4.63
    2-methyltetrahydrofuran 94.54
    n-hexyl acetate 48.51
    isooctane 2.46
    2-(2-butoxyethoxy)ethanol 78.76
    sec-butyl acetate 17.86
    tert-butyl acetate 32.46
    decalin 5.66
    glycerin 112.56
    diglyme 98.56
    acrylic acid 162.54
    isopropyl myristate 21.88
    n-butyric acid 104.29
    acetyl acetate 49.68
    di(2-ethylhexyl) phthalate 30.94
    ethyl propionate 28.43
    nitromethane 258.03
    1,2-diethoxyethane 37.16
    benzonitrile 43.41
    trioctyl phosphate 20.45
    1-bromopropane 26.77
    gamma-valerolactone 164.98
    n-decanol 20.45
    triethyl phosphate 23.92
    4-methyl-2-pentanol 17.27
    propionitrile 49.27
    vinylene carbonate 87.88
    1,1,2-trichlorotrifluoroethane 139.5
    DMS 48.18
    cumene 10.61
    2-octanol 16.36
    2-hexanone 23.98
    octyl acetate 30.25
    limonene 21.09
    1,2-dimethoxyethane 66.73
    ethyl orthosilicate 20.96
    tributyl phosphate 25.97
    diacetone alcohol 57.46
    N,N-dimethylaniline 25.24
    acrylonitrile 75.44
    aniline 34.7
    1,3-propanediol 91.68
    bromobenzene 26.76
    dibromomethane 72.35
    1,1,2,2-tetrachloroethane 113.1
    2-methyl-cyclohexyl acetate 34.45
    tetrabutyl urea 32.98
    diisobutyl methanol 15.93
    2-phenylethanol 38.15
    styrene 11.42
    dioctyl adipate 39.92
    dimethyl sulfate 51.38
    ethyl butyrate 28.28
    methyl lactate 51.78
    butyl lactate 32.44
    diethyl carbonate 25.83
    propanediol butyl ether 57.44
    triethyl orthoformate 24.8
    p-tert-butyltoluene 14.59
    methyl 4-tert-butylbenzoate 51.17
    morpholine 122.08
    tert-butylamine 43.78
    n-dodecanol 16.49
    dimethoxymethane 51.61
    ethylene carbonate 63.39
    cyrene 67.18
    2-ethoxyethyl acetate 37.67
    2-ethylhexyl acetate 25.86
    1,2,4-trichlorobenzene 56.62
    4-methylpyridine 54.25
    dibutyl ether 21.32
    2,6-dimethyl-4-heptanol 15.93
    DEF 59.42
    dimethyl isosorbide 95.76
    tetrachloroethylene 78.53
    eugenol 52.83
    triacetin 63.21
    span 80 72.03
    1,4-butanediol 32.55
    1,1-dichloroethane 63.17
    2-methyl-1-pentanol 25.02
    methyl formate 68.62
    2-methyl-1-butanol 37.79
    n-decane 4.26
    butyronitrile 37.53
    3,7-dimethyl-1-octanol 29.48
    1-chlorooctane 15.48
    1-chlorotetradecane 7.92
    n-nonane 4.03
    undecane 3.47
    tert-butylcyclohexane 5.82
    cyclooctane 3.01
    cyclopentanol 86.22
    tetrahydropyran 69.49
    tert-amyl methyl ether 29.31
    2,5,8-trioxanonane 95.05
    1-hexene 14.51
    2-isopropoxyethanol 33.71
    2,2,2-trifluoroethanol 124.51
    methyl butyrate 35.03

    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 0.3%