(Tetrahydro-2-furyl)methyl isovalerate

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  • Identifiers

    CAS number
    93805-21-1

    Molecular formula
    C10H18O3

    SMILES
    CC(C)CC(=O)OCC1CCCO1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 95.36%
    Sweet 70.29%
    Pineapple 57.34%
    Apple 53.15%
    Green 47.98%
    Banana 45.87%
    Tropical 44.19%
    Winey 41.32%
    Buttery 39.76%
    Fatty 39.02%

     

    Flavor
    Fruity 74.97%
    Pineapple 49.41%
    Tropical 42.81%
    Sweet 36.74%
    Berry 35.53%
    Fruit 35.08%
    Apple 31.6%
    Green 30.5%
    Grape 28.18%
    Cheese 27.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.28 (neutral)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 100.15 ˚C est.

  • Synonyms

    • (Tetrahydro-2-furyl)methyl isovalerate
    • 93805-21-1
    • EINECS 298-504-0
    • (Oxolan-2-yl)methyl 3-methylbutanoate
    • SCHEMBL14504408
    • DTXSID10917796
    • JBXNPSNIQOJUOE-UHFFFAOYSA-N
    • NS00065663
    • 93805-21-1

  • Applications

    Chemical name: (Tetrahydro-2-furyl)methyl isovalerate; CAS number: 93805-21-1. (Tetrahydro-2-furyl)methyl isovalerate is primarily used as a fragrance ingredient in the perfumery industry, where it functions as an odorant and/or a fixative to improve scent longevity and stability. It is also considered a fragrance component in cosmetics and personal care products, providing a desirable aroma in creams, lotions, shampoos, and body care items. In household products such as cleaning agents and detergents, it is added to impart a pleasant fragrance. In industrial manufacturing, the ester can be used as a fragrance ingredient and a processing aid in formulation and fragrance blends, and in coatings/inks, it may serve as an odorant additive for surface finishes and printed materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1483.12
    methanol 2140.91
    isopropanol 1033.63
    water 7.2
    ethyl acetate 584.57
    n-propanol 869.2
    acetone 983.92
    n-butanol 760.27
    acetonitrile 659.51
    DMF 894.88
    toluene 184.23
    isobutanol 630.23
    1,4-dioxane 838.31
    methyl acetate 533.74
    THF 1131.89
    2-butanone 534.14
    n-pentanol 459.56
    sec-butanol 706.56
    n-hexane 37.95
    ethylene glycol 376.01
    NMP 767.06
    cyclohexane 82.17
    DMSO 1091.38
    n-butyl acetate 464.33
    n-octanol 241.19
    chloroform 3405.26
    n-propyl acetate 345.07
    acetic acid 2781.88
    dichloromethane 2250.62
    cyclohexanone 891.33
    propylene glycol 586.99
    isopropyl acetate 393.47
    DMAc 708.5
    2-ethoxyethanol 616.1
    isopentanol 602.38
    n-heptane 20.03
    ethyl formate 506.9
    1,2-dichloroethane 1003.17
    n-hexanol 452.3
    2-methoxyethanol 1107.59
    isobutyl acetate 251.23
    tetrachloromethane 268.91
    n-pentyl acetate 258.96
    transcutol 1965.53
    n-heptanol 197.1
    ethylbenzene 134.39
    MIBK 308.73
    2-propoxyethanol 684.32
    tert-butanol 963.13
    MTBE 429.35
    2-butoxyethanol 399.86
    propionic acid 992.1
    o-xylene 148.28
    formic acid 953.9
    diethyl ether 348.2
    m-xylene 156.02
    p-xylene 207.69
    chlorobenzene 507.72
    dimethyl carbonate 181.67
    n-octane 12.1
    formamide 819.86
    cyclopentanone 889.98
    2-pentanone 433.97
    anisole 317.53
    cyclopentyl methyl ether 419.62
    gamma-butyrolactone 1115.29
    1-methoxy-2-propanol 789.02
    pyridine 780.2
    3-pentanone 278.37
    furfural 1116.04
    n-dodecane 14.69
    diethylene glycol 636.49
    diisopropyl ether 110.57
    tert-amyl alcohol 676.21
    acetylacetone 574.98
    n-hexadecane 16.84
    acetophenone 369.08
    methyl propionate 366.4
    isopentyl acetate 426.93
    trichloroethylene 2314.84
    n-nonanol 200.96
    cyclohexanol 610.83
    benzyl alcohol 387.25
    2-ethylhexanol 234.34
    isooctanol 164.46
    dipropyl ether 159.83
    1,2-dichlorobenzene 514.85
    ethyl lactate 234.19
    propylene carbonate 746.06
    n-methylformamide 616.38
    2-pentanol 471.64
    n-pentane 31.31
    1-propoxy-2-propanol 492.78
    1-methoxy-2-propyl acetate 427.8
    2-(2-methoxypropoxy) propanol 437.5
    mesitylene 109.92
    ε-caprolactone 829.86
    p-cymene 107.22
    epichlorohydrin 1116.66
    1,1,1-trichloroethane 1030.5
    2-aminoethanol 689.38
    morpholine-4-carbaldehyde 765.29
    sulfolane 1146.44
    2,2,4-trimethylpentane 31.77
    2-methyltetrahydrofuran 733.69
    n-hexyl acetate 416.84
    isooctane 23.96
    2-(2-butoxyethoxy)ethanol 621.22
    sec-butyl acetate 246.15
    tert-butyl acetate 377.85
    decalin 43.34
    glycerin 717.34
    diglyme 896.76
    acrylic acid 936.89
    isopropyl myristate 153.23
    n-butyric acid 1301.71
    acetyl acetate 535.41
    di(2-ethylhexyl) phthalate 185.2
    ethyl propionate 265.16
    nitromethane 1885.22
    1,2-diethoxyethane 395.52
    benzonitrile 519.75
    trioctyl phosphate 126.41
    1-bromopropane 479.61
    gamma-valerolactone 1091.28
    n-decanol 144.36
    triethyl phosphate 150.77
    4-methyl-2-pentanol 252.65
    propionitrile 463.82
    vinylene carbonate 745.66
    1,1,2-trichlorotrifluoroethane 1335.78
    DMS 330.67
    cumene 114.01
    2-octanol 148.05
    2-hexanone 333.75
    octyl acetate 205.51
    limonene 153.69
    1,2-dimethoxyethane 745.87
    ethyl orthosilicate 143.75
    tributyl phosphate 171.3
    diacetone alcohol 496.81
    N,N-dimethylaniline 208.76
    acrylonitrile 597.61
    aniline 397.02
    1,3-propanediol 896.09
    bromobenzene 494.12
    dibromomethane 1411.02
    1,1,2,2-tetrachloroethane 1946.38
    2-methyl-cyclohexyl acetate 261.42
    tetrabutyl urea 195.84
    diisobutyl methanol 143.21
    2-phenylethanol 360.49
    styrene 174.68
    dioctyl adipate 250.78
    dimethyl sulfate 309.94
    ethyl butyrate 270.03
    methyl lactate 330.89
    butyl lactate 292.57
    diethyl carbonate 212.07
    propanediol butyl ether 548.53
    triethyl orthoformate 196.42
    p-tert-butyltoluene 97.79
    methyl 4-tert-butylbenzoate 318.4
    morpholine 1036.74
    tert-butylamine 493.09
    n-dodecanol 109.03
    dimethoxymethane 412.43
    ethylene carbonate 585.96
    cyrene 357.65
    2-ethoxyethyl acetate 346.26
    2-ethylhexyl acetate 294.59
    1,2,4-trichlorobenzene 623.86
    4-methylpyridine 682.95
    dibutyl ether 197.09
    2,6-dimethyl-4-heptanol 143.21
    DEF 444.42
    dimethyl isosorbide 549.15
    tetrachloroethylene 1180.0
    eugenol 362.54
    triacetin 451.88
    span 80 408.49
    1,4-butanediol 349.12
    1,1-dichloroethane 1244.12
    2-methyl-1-pentanol 418.77
    methyl formate 512.44
    2-methyl-1-butanol 525.59
    n-decane 23.75
    butyronitrile 571.11
    3,7-dimethyl-1-octanol 256.47
    1-chlorooctane 128.94
    1-chlorotetradecane 52.45
    n-nonane 21.73
    undecane 17.9
    tert-butylcyclohexane 39.8
    cyclooctane 22.05
    cyclopentanol 656.9
    tetrahydropyran 747.34
    tert-amyl methyl ether 263.25
    2,5,8-trioxanonane 631.52
    1-hexene 164.14
    2-isopropoxyethanol 405.22
    2,2,2-trifluoroethanol 771.28
    methyl butyrate 395.45

    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