2-Hexyl-4-acetoxytetrahydrofuran

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  • Identifiers

    CAS number
    10039-39-1

    Molecular formula
    C12H22O3

    SMILES
    CCCCCCC1CC(CO1)OC(=O)C

  • Odor profile

    Fragrance
    Floral 79.61%
    Fruity 71.66%
    Sweet 70.67%
    Green 48.72%
    Jasmin 48.37%
    Fresh 47.87%
    Waxy 46.56%
    Peach 43.97%
    Oily 43.14%
    Fatty 39.89%

     

    Flavor
    Fruity 50.04%
    Waxy 47.78%
    Sweet 47.23%
    Oily 46.24%
    Green 45.32%
    Fatty 42.37%
    Coconut 42.08%
    Fresh 41.7%
    Creamy 40.95%
    Peach 39.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.62 (neutral)

    Molecular weight
    214.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 275.00 to 276.00 °C. @ 760.00 mm Hg

    Flash point

    • 122.19 ˚C est.

    Solubility expt.

    • slightly
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 10039-39-1
    • 2-Hexyl-4-acetoxytetrahydrofuran
    • (5-hexyloxolan-3-yl) acetate
    • 5-Hexyltetrahydro-3-furanyl acetate
    • 3-Furanol, 5-hexyltetrahydro-, acetate
    • 5-hexyl-3-tetrahydrofuryl acetate
    • 4-Acetoxy-2-hexyltetrahydrofuran
    • 2-Hexyltetrahydrofuran-4-yl acetate
    • 677FSS3W4M
    • 5-HEXYLOXOLAN-3-YL ACETATE
    • 3-Furanol, 5-hexyltetrahydro-, 3-acetate
    • UNII-677FSS3W4M
    • SCHEMBL3505780
    • FEMA NO. 2566
    • DTXSID90864198
    • CHEBI:171810
    • IAJCTZJZXRAPDK-UHFFFAOYSA-N
    • 5-Hexyltetrahydrofuran-3-yl acetate
    • DB-368724
    • 2-HEXYL-4-ACETOXYTETRAHYDROFURAN [FHFI]
    • Q27264083
    • 600-089-1

  • Applications

    2-Hexyl-4-acetoxytetrahydrofuran (CAS 10039-39-1) is regarded as an intermediate and building block in the synthesis of fragrance ingredients and cosmetics, commonly considered for use in perfumery and personal care products. It also serves as an industrial intermediate for chemical synthesis and can act as a building block for polymer systems. Additionally, it may be evaluated as an intermediate for coatings and inks, along with specialized applications in industrial chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2868.38
    methanol 3896.05
    isopropanol 1846.06
    water 1.04
    ethyl acetate 1891.69
    n-propanol 1828.88
    acetone 2366.94
    n-butanol 1455.08
    acetonitrile 1832.6
    DMF 1445.97
    toluene 500.19
    isobutanol 1198.5
    1,4-dioxane 2075.95
    methyl acetate 1228.49
    THF 2667.37
    2-butanone 1434.56
    n-pentanol 926.29
    sec-butanol 1210.1
    n-hexane 69.61
    ethylene glycol 370.71
    NMP 1240.35
    cyclohexane 150.36
    DMSO 2531.58
    n-butyl acetate 1014.68
    n-octanol 228.65
    chloroform 4330.46
    n-propyl acetate 931.53
    acetic acid 2238.56
    dichloromethane 3751.54
    cyclohexanone 1959.61
    propylene glycol 574.67
    isopropyl acetate 1282.78
    DMAc 1356.73
    2-ethoxyethanol 1321.27
    isopentanol 1200.65
    n-heptane 26.13
    ethyl formate 953.89
    1,2-dichloroethane 1995.21
    n-hexanol 692.88
    2-methoxyethanol 2132.45
    isobutyl acetate 660.02
    tetrachloromethane 460.67
    n-pentyl acetate 495.18
    transcutol 3505.45
    n-heptanol 211.43
    ethylbenzene 236.45
    MIBK 802.18
    2-propoxyethanol 1264.16
    tert-butanol 1671.34
    MTBE 1330.66
    2-butoxyethanol 541.22
    propionic acid 1226.32
    o-xylene 301.18
    formic acid 826.78
    diethyl ether 1460.2
    m-xylene 353.61
    p-xylene 313.79
    chlorobenzene 902.99
    dimethyl carbonate 357.58
    n-octane 12.42
    formamide 891.39
    cyclopentanone 1726.08
    2-pentanone 1300.82
    anisole 590.92
    cyclopentyl methyl ether 1154.27
    gamma-butyrolactone 2017.02
    1-methoxy-2-propanol 1514.82
    pyridine 1581.51
    3-pentanone 769.41
    furfural 1581.11
    n-dodecane 13.59
    diethylene glycol 935.8
    diisopropyl ether 327.54
    tert-amyl alcohol 1155.44
    acetylacetone 1502.32
    n-hexadecane 16.43
    acetophenone 575.46
    methyl propionate 960.39
    isopentyl acetate 900.97
    trichloroethylene 3424.38
    n-nonanol 201.52
    cyclohexanol 1124.95
    benzyl alcohol 583.43
    2-ethylhexanol 346.09
    isooctanol 182.79
    dipropyl ether 358.83
    1,2-dichlorobenzene 765.42
    ethyl lactate 383.32
    propylene carbonate 1186.78
    n-methylformamide 1024.28
    2-pentanol 830.92
    n-pentane 65.69
    1-propoxy-2-propanol 800.73
    1-methoxy-2-propyl acetate 908.69
    2-(2-methoxypropoxy) propanol 568.26
    mesitylene 216.04
    ε-caprolactone 1782.38
    p-cymene 139.96
    epichlorohydrin 2383.62
    1,1,1-trichloroethane 1848.46
    2-aminoethanol 886.6
    morpholine-4-carbaldehyde 1422.14
    sulfolane 1918.23
    2,2,4-trimethylpentane 44.02
    2-methyltetrahydrofuran 1962.78
    n-hexyl acetate 662.19
    isooctane 34.99
    2-(2-butoxyethoxy)ethanol 810.45
    sec-butyl acetate 703.96
    tert-butyl acetate 1065.66
    decalin 73.71
    glycerin 689.31
    diglyme 1426.87
    acrylic acid 902.49
    isopropyl myristate 211.13
    n-butyric acid 2042.38
    acetyl acetate 1243.1
    di(2-ethylhexyl) phthalate 224.85
    ethyl propionate 716.19
    nitromethane 2644.43
    1,2-diethoxyethane 1035.08
    benzonitrile 789.55
    trioctyl phosphate 145.29
    1-bromopropane 1208.23
    gamma-valerolactone 2250.48
    n-decanol 138.71
    triethyl phosphate 231.82
    4-methyl-2-pentanol 412.79
    propionitrile 1198.39
    vinylene carbonate 1058.69
    1,1,2-trichlorotrifluoroethane 1734.48
    DMS 560.75
    cumene 164.62
    2-octanol 147.58
    2-hexanone 803.78
    octyl acetate 260.64
    limonene 221.89
    1,2-dimethoxyethane 1853.29
    ethyl orthosilicate 237.2
    tributyl phosphate 217.72
    diacetone alcohol 937.64
    N,N-dimethylaniline 342.67
    acrylonitrile 1270.03
    aniline 818.82
    1,3-propanediol 1255.07
    bromobenzene 987.01
    dibromomethane 2304.38
    1,1,2,2-tetrachloroethane 2868.75
    2-methyl-cyclohexyl acetate 428.25
    tetrabutyl urea 250.41
    diisobutyl methanol 176.9
    2-phenylethanol 494.7
    styrene 348.19
    dioctyl adipate 344.94
    dimethyl sulfate 539.87
    ethyl butyrate 576.49
    methyl lactate 469.39
    butyl lactate 401.82
    diethyl carbonate 383.19
    propanediol butyl ether 559.8
    triethyl orthoformate 378.73
    p-tert-butyltoluene 134.98
    methyl 4-tert-butylbenzoate 407.9
    morpholine 2710.54
    tert-butylamine 915.49
    n-dodecanol 100.51
    dimethoxymethane 1057.66
    ethylene carbonate 1003.64
    cyrene 453.68
    2-ethoxyethyl acetate 767.67
    2-ethylhexyl acetate 615.78
    1,2,4-trichlorobenzene 899.84
    4-methylpyridine 1520.81
    dibutyl ether 375.49
    2,6-dimethyl-4-heptanol 176.9
    DEF 1137.81
    dimethyl isosorbide 806.85
    tetrachloroethylene 1691.24
    eugenol 394.45
    triacetin 709.52
    span 80 464.96
    1,4-butanediol 509.44
    1,1-dichloroethane 2297.77
    2-methyl-1-pentanol 776.3
    methyl formate 698.36
    2-methyl-1-butanol 1028.21
    n-decane 25.2
    butyronitrile 1317.69
    3,7-dimethyl-1-octanol 291.66
    1-chlorooctane 159.26
    1-chlorotetradecane 56.87
    n-nonane 22.93
    undecane 17.36
    tert-butylcyclohexane 62.68
    cyclooctane 35.94
    cyclopentanol 1072.42
    tetrahydropyran 2117.72
    tert-amyl methyl ether 773.93
    2,5,8-trioxanonane 945.97
    1-hexene 390.55
    2-isopropoxyethanol 887.16
    2,2,2-trifluoroethanol 650.18
    methyl butyrate 1061.4

    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