Oxolan-2-ylmethyl heptanoate

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  • Identifiers

    CAS number
    5460-59-3

    Molecular formula
    C12H22O3

    SMILES
    CCCCCCC(=O)OCC1CCCO1

  • Odor profile

    Fragrance
    Fruity 87.75%
    Sweet 67.58%
    Green 66.17%
    Oily 54.03%
    Fatty 53.19%
    Winey 50.3%
    Peach 45.88%
    Pineapple 45.2%
    Waxy 44.64%
    Tropical 39.19%

     

    Flavor
    Fruity 71.5%
    Waxy 50.13%
    Pineapple 46.86%
    Oily 46.49%
    Tropical 43.65%
    Green 43.21%
    Sweet 42.77%
    Fatty 40.41%
    Fruit 39.38%
    Creamy 37.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.22 (neutral)

    Molecular weight
    214.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 126.11 ˚C est.

  • Synonyms

    • 5460-59-3
    • oxolan-2-ylmethyl heptanoate
    • NSC23051
    • DTXSID10281787
    • NSC-23051

  • Applications

    Oxolan-2-ylmethyl heptanoate (CAS 5460-59-3) is an ester that may find applications in fragrance and cosmetics formulations as a fragrance ingredient and solvent; it can also serve as a fragrance carrier in household products such as cleaners and detergents. In polymers and plastics, it may act as a plasticizer or processing aid; in coatings and inks, it can function as a solvent or additive that adjusts evaporation and aroma release. In industrial manufacturing, it can be used as an intermediate in fragrance synthesis or as a specialty solvent in formulation development. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3686.72
    methanol 5350.51
    isopropanol 2040.55
    water 0.75
    ethyl acetate 3914.04
    n-propanol 2189.2
    acetone 4235.49
    n-butanol 1907.53
    acetonitrile 3415.06
    DMF 2140.63
    toluene 974.93
    isobutanol 1422.52
    1,4-dioxane 2793.02
    methyl acetate 2270.92
    THF 3555.23
    2-butanone 2456.13
    n-pentanol 1166.77
    sec-butanol 1497.98
    n-hexane 94.04
    ethylene glycol 376.48
    NMP 1720.53
    cyclohexane 276.67
    DMSO 4175.84
    n-butyl acetate 1959.6
    n-octanol 348.99
    chloroform 7234.75
    n-propyl acetate 1967.63
    acetic acid 3498.97
    dichloromethane 7361.86
    cyclohexanone 3445.29
    propylene glycol 532.23
    isopropyl acetate 2283.2
    DMAc 1841.3
    2-ethoxyethanol 1691.1
    isopentanol 1706.85
    n-heptane 46.7
    ethyl formate 1887.21
    1,2-dichloroethane 4248.0
    n-hexanol 877.04
    2-methoxyethanol 2761.05
    isobutyl acetate 1107.18
    tetrachloromethane 745.96
    n-pentyl acetate 952.71
    transcutol 5437.93
    n-heptanol 324.76
    ethylbenzene 449.98
    MIBK 1293.17
    2-propoxyethanol 1581.69
    tert-butanol 1919.68
    MTBE 1765.68
    2-butoxyethanol 846.99
    propionic acid 1798.48
    o-xylene 527.02
    formic acid 1044.04
    diethyl ether 2320.63
    m-xylene 577.48
    p-xylene 635.74
    chlorobenzene 1734.61
    dimethyl carbonate 592.02
    n-octane 21.08
    formamide 1568.46
    cyclopentanone 2814.88
    2-pentanone 2422.32
    anisole 1090.21
    cyclopentyl methyl ether 1658.83
    gamma-butyrolactone 3266.44
    1-methoxy-2-propanol 1897.09
    pyridine 3466.8
    3-pentanone 1383.31
    furfural 2869.99
    n-dodecane 22.6
    diethylene glycol 1121.05
    diisopropyl ether 504.88
    tert-amyl alcohol 1399.25
    acetylacetone 2620.31
    n-hexadecane 27.46
    acetophenone 1130.5
    methyl propionate 1752.92
    isopentyl acetate 1572.34
    trichloroethylene 7309.0
    n-nonanol 305.31
    cyclohexanol 1530.38
    benzyl alcohol 982.0
    2-ethylhexanol 518.98
    isooctanol 283.4
    dipropyl ether 561.05
    1,2-dichlorobenzene 1490.73
    ethyl lactate 578.89
    propylene carbonate 2004.42
    n-methylformamide 1567.31
    2-pentanol 1170.36
    n-pentane 97.01
    1-propoxy-2-propanol 1091.67
    1-methoxy-2-propyl acetate 1403.03
    2-(2-methoxypropoxy) propanol 843.34
    mesitylene 347.52
    ε-caprolactone 3034.34
    p-cymene 248.52
    epichlorohydrin 4008.1
    1,1,1-trichloroethane 3297.09
    2-aminoethanol 920.54
    morpholine-4-carbaldehyde 2018.59
    sulfolane 2874.57
    2,2,4-trimethylpentane 65.73
    2-methyltetrahydrofuran 2743.53
    n-hexyl acetate 1134.39
    isooctane 52.26
    2-(2-butoxyethoxy)ethanol 1235.98
    sec-butyl acetate 1274.09
    tert-butyl acetate 1651.52
    decalin 121.49
    glycerin 651.28
    diglyme 2380.61
    acrylic acid 1342.28
    isopropyl myristate 339.91
    n-butyric acid 3373.2
    acetyl acetate 2184.37
    di(2-ethylhexyl) phthalate 336.99
    ethyl propionate 1490.6
    nitromethane 5029.7
    1,2-diethoxyethane 1799.56
    benzonitrile 1626.55
    trioctyl phosphate 216.56
    1-bromopropane 2126.22
    gamma-valerolactone 3398.85
    n-decanol 210.16
    triethyl phosphate 394.15
    4-methyl-2-pentanol 585.61
    propionitrile 2023.98
    vinylene carbonate 1883.12
    1,1,2-trichlorotrifluoroethane 2602.17
    DMS 972.15
    cumene 293.08
    2-octanol 235.65
    2-hexanone 1385.79
    octyl acetate 421.07
    limonene 385.98
    1,2-dimethoxyethane 2602.88
    ethyl orthosilicate 382.71
    tributyl phosphate 334.98
    diacetone alcohol 1336.21
    N,N-dimethylaniline 568.91
    acrylonitrile 2288.01
    aniline 1312.24
    1,3-propanediol 1527.17
    bromobenzene 1987.7
    dibromomethane 4562.87
    1,1,2,2-tetrachloroethane 5158.29
    2-methyl-cyclohexyl acetate 704.14
    tetrabutyl urea 374.78
    diisobutyl methanol 283.69
    2-phenylethanol 827.11
    styrene 744.48
    dioctyl adipate 555.45
    dimethyl sulfate 809.03
    ethyl butyrate 1127.47
    methyl lactate 667.78
    butyl lactate 687.54
    diethyl carbonate 733.23
    propanediol butyl ether 801.81
    triethyl orthoformate 647.25
    p-tert-butyltoluene 223.79
    methyl 4-tert-butylbenzoate 664.82
    morpholine 3735.42
    tert-butylamine 1063.03
    n-dodecanol 150.15
    dimethoxymethane 1592.35
    ethylene carbonate 1795.16
    cyrene 630.71
    2-ethoxyethyl acetate 1347.59
    2-ethylhexyl acetate 1063.6
    1,2,4-trichlorobenzene 1648.76
    4-methylpyridine 3017.53
    dibutyl ether 652.13
    2,6-dimethyl-4-heptanol 283.69
    DEF 2067.02
    dimethyl isosorbide 1171.56
    tetrachloroethylene 3224.13
    eugenol 667.77
    triacetin 1145.91
    span 80 682.19
    1,4-butanediol 566.14
    1,1-dichloroethane 4097.64
    2-methyl-1-pentanol 1031.58
    methyl formate 1170.49
    2-methyl-1-butanol 1339.69
    n-decane 39.78
    butyronitrile 2389.53
    3,7-dimethyl-1-octanol 444.17
    1-chlorooctane 267.86
    1-chlorotetradecane 91.77
    n-nonane 36.4
    undecane 28.27
    tert-butylcyclohexane 94.11
    cyclooctane 65.88
    cyclopentanol 1371.93
    tetrahydropyran 3278.11
    tert-amyl methyl ether 1001.94
    2,5,8-trioxanonane 1466.09
    1-hexene 592.82
    2-isopropoxyethanol 1156.45
    2,2,2-trifluoroethanol 866.8
    methyl butyrate 2231.99

    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