Isoamyl 3-(2-furan)propionate

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  • Identifiers

    CAS number
    7779-67-1

    Molecular formula
    C12H18O3

    SMILES
    CC(C)CCOC(=O)CCC1=CC=CO1

  • Odor profile

    Fruity 91.63%
    Sweet 68.39%
    Green 59.84%
    Floral 53.99%
    Apple 52.38%
    Caramellic 51.4%
    Pineapple 47.15%
    Winey 46.41%
    Waxy 42.19%
    Apricot 39.1%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 258.00 °C. @ 760.00 mm Hg

    Flash point est.
    111.84 ˚C

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 7779-67-1
    • Isoamyl 3-(2-furan)propionate
    • 3-methylbutyl 3-(furan-2-yl)propanoate
    • 2-Furanpropanoic acid, 3-methylbutyl ester
    • Isoamyl 2-furanpropionate
    • Isoamyl 2-furonpropionate
    • Isoamyl furylpropanoate
    • FEMA No. 2071
    • iso-Amyl furylpropionate
    • 3-Methylbutyl furan-2-propionate
    • Isoamyl 2-furylpropionate
    • Isopentyl 2-furanpropionate
    • alpha-Isoamyl furfurylacetate
    • Isoamyl 3-(2-furyl)propionate
    • 3-Methylbutyl 2-furanpropanoate
    • 4B479FVZ19
    • EINECS 231-932-8
    • 3-Methylbutyl 3-(2-furyl)propionate
    • 2-Furanpropionic acid, isopentyl ester
    • 2-Furanpropanoic acid,3-methylbutyl ester
    • 2-ISOAMYL FURFURYLACETATE
    • DTXSID20228406
    • 3-METHYLBUTYL 3(2-FURYL)PROPIONATE
    • ISOAMYL 3-(2-FURAN)PROPIONATE [FHFI]
    • UNII-4B479FVZ19
    • Isoamyl-3-(2-furyl)propanoate
    • 3-METHYLBUTYL 3-(2-FURANYL)PROPIONATE
    • Isoamyl-3-(2-furyl)propionate
    • SCHEMBL1532438
    • FEMA 2071
    • isoamyl 3-(2-furan) propionate
    • DTXCID00150897
    • Isopentyl 3-(2-furyl)propanoate
    • CHEBI:230789
    • Isopentyl 3-(2-furyl)propanoate #
    • GEO-01608
    • LMFA07010913
    • AKOS017171887
    • 3-methylbutyl 3-(uran-2-yl)propanoate
    • NS00022789
    • Q27259372
    • 231-932-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1075.73
    methanol 1899.57
    isopropanol 517.06
    water 1.03
    ethyl acetate 1009.67
    n-propanol 494.43
    acetone 846.92
    n-butanol 443.68
    acetonitrile 927.68
    DMF 646.43
    toluene 280.62
    isobutanol 329.06
    1,4-dioxane 1176.27
    methyl acetate 783.24
    THF 1260.64
    2-butanone 680.2
    n-pentanol 335.56
    sec-butanol 379.09
    n-hexane 13.23
    ethylene glycol 121.92
    NMP 451.53
    cyclohexane 36.05
    DMSO 1019.24
    n-butyl acetate 440.85
    n-octanol 110.91
    chloroform 2000.01
    n-propyl acetate 468.27
    acetic acid 831.9
    dichloromethane 2168.82
    cyclohexanone 729.53
    propylene glycol 182.52
    isopropyl acetate 512.74
    DMAc 978.07
    2-ethoxyethanol 648.43
    isopentanol 412.39
    n-heptane 8.53
    ethyl formate 421.43
    1,2-dichloroethane 996.95
    n-hexanol 241.92
    2-methoxyethanol 953.21
    isobutyl acetate 310.44
    tetrachloromethane 121.1
    n-pentyl acetate 198.29
    transcutol 2105.1
    n-heptanol 90.86
    ethylbenzene 150.95
    MIBK 330.43
    2-propoxyethanol 533.56
    tert-butanol 549.04
    MTBE 533.34
    2-butoxyethanol 246.65
    propionic acid 415.52
    o-xylene 167.73
    formic acid 272.06
    diethyl ether 578.54
    m-xylene 174.81
    p-xylene 220.12
    chlorobenzene 408.56
    dimethyl carbonate 234.24
    n-octane 5.3
    formamide 508.76
    cyclopentanone 664.88
    2-pentanone 533.36
    anisole 438.32
    cyclopentyl methyl ether 437.67
    gamma-butyrolactone 841.28
    1-methoxy-2-propanol 601.94
    pyridine 933.22
    3-pentanone 363.95
    furfural 774.69
    n-dodecane 7.61
    diethylene glycol 418.53
    diisopropyl ether 115.37
    tert-amyl alcohol 421.83
    acetylacetone 737.0
    n-hexadecane 8.92
    acetophenone 402.83
    methyl propionate 540.23
    isopentyl acetate 412.17
    trichloroethylene 1903.6
    n-nonanol 105.67
    cyclohexanol 321.14
    benzyl alcohol 346.79
    2-ethylhexanol 138.69
    isooctanol 84.33
    dipropyl ether 143.07
    1,2-dichlorobenzene 370.56
    ethyl lactate 168.06
    propylene carbonate 517.06
    n-methylformamide 377.23
    2-pentanol 248.46
    n-pentane 10.81
    1-propoxy-2-propanol 311.48
    1-methoxy-2-propyl acetate 455.15
    2-(2-methoxypropoxy) propanol 360.06
    mesitylene 97.1
    ε-caprolactone 673.41
    p-cymene 79.87
    epichlorohydrin 1247.21
    1,1,1-trichloroethane 750.34
    2-aminoethanol 320.32
    morpholine-4-carbaldehyde 811.87
    sulfolane 671.45
    2,2,4-trimethylpentane 15.92
    2-methyltetrahydrofuran 843.22
    n-hexyl acetate 301.28
    isooctane 10.62
    2-(2-butoxyethoxy)ethanol 478.25
    sec-butyl acetate 328.92
    tert-butyl acetate 438.92
    decalin 26.42
    glycerin 216.5
    diglyme 937.59
    acrylic acid 324.36
    isopropyl myristate 115.87
    n-butyric acid 669.29
    acetyl acetate 579.47
    di(2-ethylhexyl) phthalate 133.04
    ethyl propionate 368.74
    nitromethane 1270.17
    1,2-diethoxyethane 552.41
    benzonitrile 391.68
    trioctyl phosphate 73.96
    1-bromopropane 433.12
    gamma-valerolactone 967.43
    n-decanol 76.72
    triethyl phosphate 144.29
    4-methyl-2-pentanol 155.27
    propionitrile 478.08
    vinylene carbonate 505.28
    1,1,2-trichlorotrifluoroethane 681.45
    DMS 351.03
    cumene 98.66
    2-octanol 66.9
    2-hexanone 371.04
    octyl acetate 146.72
    limonene 109.71
    1,2-dimethoxyethane 1048.96
    ethyl orthosilicate 140.96
    tributyl phosphate 112.23
    diacetone alcohol 421.67
    N,N-dimethylaniline 249.32
    acrylonitrile 569.1
    aniline 354.21
    1,3-propanediol 429.39
    bromobenzene 457.0
    dibromomethane 1100.83
    1,1,2,2-tetrachloroethane 1363.6
    2-methyl-cyclohexyl acetate 246.62
    tetrabutyl urea 136.12
    diisobutyl methanol 82.84
    2-phenylethanol 272.42
    styrene 217.17
    dioctyl adipate 200.08
    dimethyl sulfate 297.67
    ethyl butyrate 304.48
    methyl lactate 199.61
    butyl lactate 159.11
    diethyl carbonate 229.91
    propanediol butyl ether 243.67
    triethyl orthoformate 205.32
    p-tert-butyltoluene 73.78
    methyl 4-tert-butylbenzoate 255.7
    morpholine 1388.51
    tert-butylamine 277.93
    n-dodecanol 58.35
    dimethoxymethane 640.64
    ethylene carbonate 447.12
    cyrene 287.05
    2-ethoxyethyl acetate 379.23
    2-ethylhexyl acetate 297.03
    1,2,4-trichlorobenzene 450.71
    4-methylpyridine 780.98
    dibutyl ether 173.58
    2,6-dimethyl-4-heptanol 82.84
    DEF 593.47
    dimethyl isosorbide 515.94
    tetrachloroethylene 794.81
    eugenol 254.68
    triacetin 390.73
    span 80 255.05
    1,4-butanediol 176.12
    1,1-dichloroethane 978.75
    2-methyl-1-pentanol 312.63
    methyl formate 277.63
    2-methyl-1-butanol 328.41
    n-decane 12.1
    butyronitrile 497.58
    3,7-dimethyl-1-octanol 137.24
    1-chlorooctane 74.56
    1-chlorotetradecane 30.73
    n-nonane 9.8
    undecane 9.22
    tert-butylcyclohexane 24.2
    cyclooctane 9.54
    cyclopentanol 289.85
    tetrahydropyran 856.65
    tert-amyl methyl ether 340.78
    2,5,8-trioxanonane 664.34
    1-hexene 104.89
    2-isopropoxyethanol 427.98
    2,2,2-trifluoroethanol 222.06
    methyl butyrate 529.91

    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