Isopropyl 2-furoate

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  • Identifiers

    CAS number
    6270-34-4

    Molecular formula
    C8H10O3

    SMILES
    CC(C)OC(=O)C1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 88.28%
    Caramellic 46.48%
    Sweet 45.48%
    Berry 44.18%
    Floral 38.36%
    Strawberry 31.59%
    Herbal 31.24%
    Apple 28.79%
    Winey 28.64%
    Tropical 28.44%

     

    Flavor
    Fruity 86.31%
    Sweet 62.53%
    Grape 39.43%
    Berry 32.09%
    Tropical 27.75%
    Caramel 27.7%
    Musty 25.71%
    Tobacco 24.81%
    Creamy 24.08%
    Fruit 23.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.95 (weak acid)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 76.49 ˚C est.

  • Synonyms

    • Isopropyl 2-furoate
    • 6270-34-4
    • 2-Furancarboxylic acid, 1-methylethyl ester
    • 2-Furoic acid, isopropyl ester
    • 6ZJ2JI8QNC
    • EINECS 228-451-0
    • NSC 35576
    • NSC-35576
    • AI3-23589
    • DTXSID3064190
    • ISOPROPYL 2-FURYLCARBOXYLATE
    • RefChem:792129
    • DTXCID5043508
    • 228-451-0
    • propan-2-yl furan-2-carboxylate
    • Isopropyl furoate
    • isopropyl furan-2-carboxylate
    • furan-2-carboxylic acid isopropyl ester
    • Isopropyl 2-Furoate (~90%)
    • Isopropyl 2-furoate #
    • 2-Furancarboxylic acid,1-methylethyl ester
    • UNII-6ZJ2JI8QNC
    • isopropylfuran-2-carboxylate
    • 2-Furoic acid isopropyl ester
    • SCHEMBL3146767
    • SCHEMBL5036990
    • SCHEMBL18207640
    • NSC35576
    • MFCD00046107
    • AKOS006243087
    • FI67452
    • 2-Furancarboxylic acid, isopropyl ester
    • NS00035135
    • G29343
    • EN300-7246408
    • 6270-34-4

  • Applications

    Isopropyl 2-furoate (CAS 6270-34-4) is an ester of furoic acid used primarily as a fragrance ingredient and may be explored as a flavor ester; in perfumery and cosmetics it serves as a fragrance component or fixing agent, contributing fruity notes in formulations; in food-related applications its use as a flavoring ester would be subject to regulatory approvals; in household and cleaning products it can provide aroma in air fresheners and detergents; in industrial manufacturing it is used as an intermediate for synthesizing other furoate esters and related organic compounds; and it can function as a solvent or processing aid in coatings, inks, and other formulation systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 280.29
    methanol 421.45
    isopropanol 184.11
    water 4.73
    ethyl acetate 89.95
    n-propanol 194.15
    acetone 217.89
    n-butanol 187.63
    acetonitrile 154.96
    DMF 781.63
    toluene 79.05
    isobutanol 135.48
    1,4-dioxane 212.79
    methyl acetate 125.38
    THF 306.61
    2-butanone 139.19
    n-pentanol 140.71
    sec-butanol 173.84
    n-hexane 13.86
    ethylene glycol 123.77
    NMP 459.72
    cyclohexane 38.34
    DMSO 450.84
    n-butyl acetate 98.62
    n-octanol 108.93
    chloroform 452.74
    n-propyl acetate 74.05
    acetic acid 301.34
    dichloromethane 461.29
    cyclohexanone 245.47
    propylene glycol 138.66
    isopropyl acetate 52.61
    DMAc 511.22
    2-ethoxyethanol 183.44
    isopentanol 122.44
    n-heptane 16.9
    ethyl formate 155.84
    1,2-dichloroethane 229.77
    n-hexanol 142.31
    2-methoxyethanol 345.8
    isobutyl acetate 48.17
    tetrachloromethane 48.45
    n-pentyl acetate 73.6
    transcutol 299.16
    n-heptanol 77.92
    ethylbenzene 67.59
    MIBK 69.02
    2-propoxyethanol 192.15
    tert-butanol 167.8
    MTBE 86.3
    2-butoxyethanol 115.38
    propionic acid 169.16
    o-xylene 78.77
    formic acid 138.61
    diethyl ether 72.64
    m-xylene 61.71
    p-xylene 92.79
    chlorobenzene 153.1
    dimethyl carbonate 77.78
    n-octane 11.33
    formamide 186.17
    cyclopentanone 256.25
    2-pentanone 102.81
    anisole 127.12
    cyclopentyl methyl ether 112.78
    gamma-butyrolactone 277.32
    1-methoxy-2-propanol 230.43
    pyridine 257.82
    3-pentanone 81.29
    furfural 379.89
    n-dodecane 15.32
    diethylene glycol 192.58
    diisopropyl ether 23.2
    tert-amyl alcohol 151.87
    acetylacetone 117.45
    n-hexadecane 16.69
    acetophenone 138.07
    methyl propionate 108.19
    isopentyl acetate 86.88
    trichloroethylene 421.38
    n-nonanol 90.67
    cyclohexanol 175.2
    benzyl alcohol 143.82
    2-ethylhexanol 86.55
    isooctanol 58.92
    dipropyl ether 62.5
    1,2-dichlorobenzene 165.84
    ethyl lactate 83.85
    propylene carbonate 196.99
    n-methylformamide 284.31
    2-pentanol 101.45
    n-pentane 16.13
    1-propoxy-2-propanol 143.74
    1-methoxy-2-propyl acetate 94.41
    2-(2-methoxypropoxy) propanol 145.29
    mesitylene 40.43
    ε-caprolactone 195.13
    p-cymene 55.11
    epichlorohydrin 280.29
    1,1,1-trichloroethane 163.2
    2-aminoethanol 173.47
    morpholine-4-carbaldehyde 342.62
    sulfolane 397.51
    2,2,4-trimethylpentane 13.52
    2-methyltetrahydrofuran 167.28
    n-hexyl acetate 126.04
    isooctane 8.14
    2-(2-butoxyethoxy)ethanol 179.27
    sec-butyl acetate 44.96
    tert-butyl acetate 62.14
    decalin 21.59
    glycerin 177.84
    diglyme 269.87
    acrylic acid 181.35
    isopropyl myristate 59.19
    n-butyric acid 185.43
    acetyl acetate 66.96
    di(2-ethylhexyl) phthalate 76.86
    ethyl propionate 72.94
    nitromethane 313.98
    1,2-diethoxyethane 95.24
    benzonitrile 186.24
    trioctyl phosphate 58.79
    1-bromopropane 120.67
    gamma-valerolactone 318.78
    n-decanol 73.84
    triethyl phosphate 63.33
    4-methyl-2-pentanol 53.54
    propionitrile 136.46
    vinylene carbonate 219.58
    1,1,2-trichlorotrifluoroethane 251.03
    DMS 100.03
    cumene 52.89
    2-octanol 64.72
    2-hexanone 89.08
    octyl acetate 81.14
    limonene 76.17
    1,2-dimethoxyethane 296.61
    ethyl orthosilicate 56.12
    tributyl phosphate 66.37
    diacetone alcohol 112.97
    N,N-dimethylaniline 112.26
    acrylonitrile 208.83
    aniline 129.44
    1,3-propanediol 197.44
    bromobenzene 152.48
    dibromomethane 296.8
    1,1,2,2-tetrachloroethane 349.21
    2-methyl-cyclohexyl acetate 84.58
    tetrabutyl urea 100.46
    diisobutyl methanol 48.84
    2-phenylethanol 126.38
    styrene 84.23
    dioctyl adipate 97.19
    dimethyl sulfate 134.63
    ethyl butyrate 84.67
    methyl lactate 112.21
    butyl lactate 88.6
    diethyl carbonate 78.83
    propanediol butyl ether 153.3
    triethyl orthoformate 67.43
    p-tert-butyltoluene 51.06
    methyl 4-tert-butylbenzoate 127.68
    morpholine 255.28
    tert-butylamine 109.21
    n-dodecanol 62.61
    dimethoxymethane 223.95
    ethylene carbonate 159.14
    cyrene 154.37
    2-ethoxyethyl acetate 85.58
    2-ethylhexyl acetate 71.73
    1,2,4-trichlorobenzene 187.99
    4-methylpyridine 224.1
    dibutyl ether 72.97
    2,6-dimethyl-4-heptanol 48.84
    DEF 182.98
    dimethyl isosorbide 187.36
    tetrachloroethylene 215.9
    eugenol 134.5
    triacetin 123.81
    span 80 142.24
    1,4-butanediol 111.94
    1,1-dichloroethane 187.3
    2-methyl-1-pentanol 111.41
    methyl formate 224.9
    2-methyl-1-butanol 126.79
    n-decane 19.91
    butyronitrile 161.78
    3,7-dimethyl-1-octanol 89.59
    1-chlorooctane 63.57
    1-chlorotetradecane 35.57
    n-nonane 18.45
    undecane 17.05
    tert-butylcyclohexane 17.78
    cyclooctane 11.75
    cyclopentanol 178.64
    tetrahydropyran 172.53
    tert-amyl methyl ether 81.05
    2,5,8-trioxanonane 231.7
    1-hexene 50.88
    2-isopropoxyethanol 110.05
    2,2,2-trifluoroethanol 99.03
    methyl butyrate 121.0

    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