Tetrahydrofurfuryl butyrate

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  • Identifiers

    CAS number
    2217-33-6

    Molecular formula
    C9H16O3

    SMILES
    CCCC(=O)OCC1CCCO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 94.76%
    Sweet 78.45%
    Green 63.58%
    Pineapple 60.24%
    Tropical 53.75%
    Caramellic 49.89%
    Banana 45.54%
    Fatty 45.51%
    Ethereal 44.6%
    Apple 43.41%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point est.
    101.14 ˚C

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Tetrahydrofurfuryl butyrate
    • 2217-33-6
    • (Tetrahydrofuran-2-yl)methyl butyrate
    • oxolan-2-ylmethyl butanoate
    • Butanoic acid, (tetrahydro-2-furanyl)methyl ester
    • 2-(Butyryloxymethyl)tetrahydrofuran
    • (Tetrahydro-2-furyl)methyl butyrate
    • Butyric acid, tetrahydrofurfuryl ester
    • 92345-48-7
    • Tetrahydro-2-furylmethyl butanoate
    • FEMA No. 3057
    • (Tetrahydro-2-furanyl)methyl butanoate
    • UNII-W41378D174
    • EINECS 218-710-6
    • (oxolan-2-yl)methyl butanoate
    • Butanoic acid, 2-tetrahydrofurylmethyl ester
    • W41378D174
    • DTXSID50862877
    • TETRAHYDROFURFURYL BUTYRATE [FHFI]
    • fema 3057
    • Butyric Acid Tetrahydrofurfuryl Ester
    • (Tetrahydrofuran-2-yl)methylbutyrate
    • MFCD00059734
    • SCHEMBL873613
    • DTXCID70811584
    • CHEBI:168905
    • TETRAHYDROFURFURYLPROPIONATE
    • butanoic acid 2-oxolanylmethyl ester
    • Tetrahydrofurfuryl butyrate, >=97%
    • Tetrahydro-2-furanylmethyl butyrate #
    • AKOS015839533
    • LS-13686
    • DB-003784
    • CS-0449864
    • NS00048915
    • T0878
    • D92411
    • A815991
    • Q27292263
    • 218-710-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2514.69
    methanol 3780.58
    isopropanol 1404.13
    water 6.35
    ethyl acetate 1227.3
    n-propanol 1303.12
    acetone 1558.32
    n-butanol 1096.12
    acetonitrile 1630.69
    DMF 1189.94
    toluene 349.45
    isobutanol 861.5
    1,4-dioxane 1424.02
    methyl acetate 870.96
    THF 1557.38
    2-butanone 840.55
    n-pentanol 720.73
    sec-butanol 941.11
    n-hexane 39.08
    ethylene glycol 417.82
    NMP 894.96
    cyclohexane 112.49
    DMSO 1788.51
    n-butyl acetate 674.92
    n-octanol 267.22
    chloroform 4601.56
    n-propyl acetate 613.68
    acetic acid 3403.91
    dichloromethane 3722.7
    cyclohexanone 1226.52
    propylene glycol 515.82
    isopropyl acetate 698.87
    DMAc 955.88
    2-ethoxyethanol 979.79
    isopentanol 890.59
    n-heptane 23.23
    ethyl formate 943.61
    1,2-dichloroethane 1584.02
    n-hexanol 502.16
    2-methoxyethanol 1580.5
    isobutyl acetate 389.55
    tetrachloromethane 353.99
    n-pentyl acetate 360.21
    transcutol 2735.8
    n-heptanol 209.84
    ethylbenzene 207.4
    MIBK 450.29
    2-propoxyethanol 846.96
    tert-butanol 1270.47
    MTBE 653.96
    2-butoxyethanol 476.7
    propionic acid 1244.82
    o-xylene 232.3
    formic acid 1295.1
    diethyl ether 718.98
    m-xylene 235.44
    p-xylene 329.58
    chlorobenzene 834.44
    dimethyl carbonate 258.01
    n-octane 13.76
    formamide 1287.8
    cyclopentanone 1170.21
    2-pentanone 724.24
    anisole 514.2
    cyclopentyl methyl ether 590.51
    gamma-butyrolactone 1550.35
    1-methoxy-2-propanol 977.3
    pyridine 1564.84
    3-pentanone 414.79
    furfural 1634.49
    n-dodecane 17.47
    diethylene glycol 747.42
    diisopropyl ether 164.11
    tert-amyl alcohol 849.05
    acetylacetone 886.74
    n-hexadecane 20.11
    acetophenone 536.46
    methyl propionate 588.82
    isopentyl acetate 561.08
    trichloroethylene 3412.91
    n-nonanol 221.18
    cyclohexanol 817.81
    benzyl alcohol 615.96
    2-ethylhexanol 268.97
    isooctanol 176.39
    dipropyl ether 212.07
    1,2-dichlorobenzene 728.31
    ethyl lactate 287.45
    propylene carbonate 966.81
    n-methylformamide 965.42
    2-pentanol 620.72
    n-pentane 40.72
    1-propoxy-2-propanol 547.16
    1-methoxy-2-propyl acetate 515.44
    2-(2-methoxypropoxy) propanol 485.25
    mesitylene 148.21
    ε-caprolactone 1180.27
    p-cymene 128.87
    epichlorohydrin 1698.81
    1,1,1-trichloroethane 1442.15
    2-aminoethanol 797.11
    morpholine-4-carbaldehyde 1105.42
    sulfolane 1361.83
    2,2,4-trimethylpentane 34.73
    2-methyltetrahydrofuran 1083.62
    n-hexyl acetate 522.71
    isooctane 26.21
    2-(2-butoxyethoxy)ethanol 706.9
    sec-butyl acetate 398.86
    tert-butyl acetate 533.42
    decalin 55.63
    glycerin 632.35
    diglyme 1196.98
    acrylic acid 1134.9
    isopropyl myristate 176.13
    n-butyric acid 1963.5
    acetyl acetate 889.02
    di(2-ethylhexyl) phthalate 202.68
    ethyl propionate 454.7
    nitromethane 2951.16
    1,2-diethoxyethane 655.99
    benzonitrile 915.81
    trioctyl phosphate 130.64
    1-bromopropane 792.79
    gamma-valerolactone 1537.46
    n-decanol 156.36
    triethyl phosphate 190.93
    4-methyl-2-pentanol 322.51
    propionitrile 969.03
    vinylene carbonate 1068.61
    1,1,2-trichlorotrifluoroethane 1506.3
    DMS 426.33
    cumene 151.0
    2-octanol 154.86
    2-hexanone 494.95
    octyl acetate 229.13
    limonene 184.66
    1,2-dimethoxyethane 1245.88
    ethyl orthosilicate 179.34
    tributyl phosphate 189.34
    diacetone alcohol 592.82
    N,N-dimethylaniline 306.28
    acrylonitrile 1278.06
    aniline 696.84
    1,3-propanediol 1136.44
    bromobenzene 882.34
    dibromomethane 2272.91
    1,1,2,2-tetrachloroethane 2551.37
    2-methyl-cyclohexyl acetate 313.57
    tetrabutyl urea 218.41
    diisobutyl methanol 157.18
    2-phenylethanol 460.38
    styrene 336.75
    dioctyl adipate 291.8
    dimethyl sulfate 382.05
    ethyl butyrate 415.38
    methyl lactate 364.66
    butyl lactate 323.36
    diethyl carbonate 312.08
    propanediol butyl ether 545.43
    triethyl orthoformate 272.54
    p-tert-butyltoluene 113.73
    methyl 4-tert-butylbenzoate 367.53
    morpholine 1683.7
    tert-butylamine 665.91
    n-dodecanol 114.7
    dimethoxymethane 645.61
    ethylene carbonate 872.85
    cyrene 395.15
    2-ethoxyethyl acetate 510.62
    2-ethylhexyl acetate 376.17
    1,2,4-trichlorobenzene 819.46
    4-methylpyridine 1330.38
    dibutyl ether 283.26
    2,6-dimethyl-4-heptanol 157.18
    DEF 749.93
    dimethyl isosorbide 611.24
    tetrachloroethylene 1677.9
    eugenol 413.91
    triacetin 547.43
    span 80 427.37
    1,4-butanediol 441.78
    1,1-dichloroethane 1877.8
    2-methyl-1-pentanol 580.49
    methyl formate 748.29
    2-methyl-1-butanol 737.0
    n-decane 28.19
    butyronitrile 1154.75
    3,7-dimethyl-1-octanol 273.18
    1-chlorooctane 152.08
    1-chlorotetradecane 59.99
    n-nonane 25.55
    undecane 21.13
    tert-butylcyclohexane 47.29
    cyclooctane 26.91
    cyclopentanol 806.16
    tetrahydropyran 1216.46
    tert-amyl methyl ether 379.99
    2,5,8-trioxanonane 798.24
    1-hexene 243.29
    2-isopropoxyethanol 619.37
    2,2,2-trifluoroethanol 806.08
    methyl butyrate 725.96

    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