Tetradecyl 5-methylfuran-2-carboxylate

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  • Identifiers

    CAS number
    1687727-70-3

    Molecular formula
    C20H34O3

    SMILES
    CCCCCCCCCCCCCCOC(=O)C1=CC=C(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 70.57%
    Waxy 64.88%
    Oily 52.07%
    Creamy 37.84%
    Sweet 35.21%
    Dairy 35.03%
    Milky 34.32%
    Buttery 33.61%
    Floral 31.36%
    Fruity 31.07%

     

    Flavor
    Waxy 51.21%
    Oily 46.45%
    Fatty 42.0%
    Mild 35.47%
    Creamy 34.05%
    Coconut 28.31%
    Bland 27.88%
    Soapy 26.94%
    Fat 26.14%
    Mushroom 26.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    8.2

    pKa est.
    7.3 (neutral)

    Molecular weight
    322.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    399°C

    Flash point

    • 173.38 ˚C est.

  • Synonyms

    • SCHEMBL18013745
    • DTXSID101225624
    • Tetradecyl 5-methylfuran-2-carboxylate
    • 2-Furancarboxylic acid, 5-methyl-, tetradecyl ester
    • 1687727-70-3
    • 1687727-70-3

  • Applications

    Tetradecyl 5-methylfuran-2-carboxylate (CAS 1687727-70-3) is a high-molecular-weight ester mainly used as a fragrance ingredient and fixative in perfumery, contributing a furan-derived aroma with a long, wear-resistant tail. It is also evaluated for cosmetics and personal care as a fragrance component, and may function as a specialty plasticizer or processing aid in polymer and coating formulations to improve flexibility and film properties. In coatings and inks, it can serve as a solvent or plasticizer alternative to traditional esters. In industrial manufacturing, it is employed as an intermediate for the synthesis of other furan-containing aroma materials or advanced esters. Additionally, it may act as a lubricant additive or wax-like component in lubricants and personal care waxes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1317.5
    methanol 1278.29
    isopropanol 1270.69
    water 0.66
    ethyl acetate 3650.53
    n-propanol 1453.87
    acetone 3933.64
    n-butanol 1335.75
    acetonitrile 1800.49
    DMF 3383.41
    toluene 1375.65
    isobutanol 1262.69
    1,4-dioxane 2745.09
    methyl acetate 2682.74
    THF 5105.16
    2-butanone 3526.27
    n-pentanol 800.98
    sec-butanol 1415.81
    n-hexane 203.42
    ethylene glycol 76.32
    NMP 3940.0
    cyclohexane 1128.43
    DMSO 2629.97
    n-butyl acetate 2059.91
    n-octanol 428.04
    chloroform 5895.23
    n-propyl acetate 2554.97
    acetic acid 1119.04
    dichloromethane 7424.66
    cyclohexanone 6446.9
    propylene glycol 188.4
    isopropyl acetate 2491.73
    DMAc 3869.11
    2-ethoxyethanol 1236.73
    isopentanol 1281.93
    n-heptane 131.23
    ethyl formate 1604.18
    1,2-dichloroethane 5645.05
    n-hexanol 558.49
    2-methoxyethanol 1583.18
    isobutyl acetate 1538.4
    tetrachloromethane 1331.98
    n-pentyl acetate 2128.81
    transcutol 3120.66
    n-heptanol 449.88
    ethylbenzene 644.21
    MIBK 1811.46
    2-propoxyethanol 1001.48
    tert-butanol 1493.76
    MTBE 2516.24
    2-butoxyethanol 1040.85
    propionic acid 1242.57
    o-xylene 849.44
    formic acid 207.56
    diethyl ether 2399.96
    m-xylene 803.41
    p-xylene 1027.76
    chlorobenzene 2156.98
    dimethyl carbonate 781.13
    n-octane 77.27
    formamide 655.07
    cyclopentanone 5377.45
    2-pentanone 3191.08
    anisole 1268.0
    cyclopentyl methyl ether 2930.89
    gamma-butyrolactone 4888.13
    1-methoxy-2-propanol 1380.65
    pyridine 3595.51
    3-pentanone 2489.49
    furfural 2738.74
    n-dodecane 43.28
    diethylene glycol 395.88
    diisopropyl ether 723.65
    tert-amyl alcohol 1505.9
    acetylacetone 3016.85
    n-hexadecane 53.82
    acetophenone 1424.55
    methyl propionate 2406.29
    isopentyl acetate 1924.23
    trichloroethylene 7777.18
    n-nonanol 403.98
    cyclohexanol 2046.86
    benzyl alcohol 845.56
    2-ethylhexanol 486.68
    isooctanol 473.15
    dipropyl ether 1000.78
    1,2-dichlorobenzene 1984.95
    ethyl lactate 641.83
    propylene carbonate 2477.44
    n-methylformamide 1548.18
    2-pentanol 1019.78
    n-pentane 209.14
    1-propoxy-2-propanol 951.46
    1-methoxy-2-propyl acetate 1528.77
    2-(2-methoxypropoxy) propanol 617.82
    mesitylene 507.26
    ε-caprolactone 4698.56
    p-cymene 335.17
    epichlorohydrin 5516.79
    1,1,1-trichloroethane 5124.35
    2-aminoethanol 328.24
    morpholine-4-carbaldehyde 2750.53
    sulfolane 4554.42
    2,2,4-trimethylpentane 139.65
    2-methyltetrahydrofuran 4490.5
    n-hexyl acetate 1795.75
    isooctane 75.83
    2-(2-butoxyethoxy)ethanol 974.24
    sec-butyl acetate 1841.98
    tert-butyl acetate 2328.8
    decalin 250.97
    glycerin 214.3
    diglyme 2522.14
    acrylic acid 768.02
    isopropyl myristate 513.56
    n-butyric acid 2569.04
    acetyl acetate 1760.1
    di(2-ethylhexyl) phthalate 376.69
    ethyl propionate 2137.61
    nitromethane 2805.74
    1,2-diethoxyethane 1945.64
    benzonitrile 1451.71
    trioctyl phosphate 286.22
    1-bromopropane 3397.21
    gamma-valerolactone 5652.95
    n-decanol 256.61
    triethyl phosphate 555.8
    4-methyl-2-pentanol 527.23
    propionitrile 1915.39
    vinylene carbonate 1976.78
    1,1,2-trichlorotrifluoroethane 2324.41
    DMS 1231.61
    cumene 398.76
    2-octanol 436.38
    2-hexanone 2038.39
    octyl acetate 658.94
    limonene 650.8
    1,2-dimethoxyethane 2843.69
    ethyl orthosilicate 562.55
    tributyl phosphate 400.31
    diacetone alcohol 1551.67
    N,N-dimethylaniline 757.9
    acrylonitrile 1841.05
    aniline 1382.26
    1,3-propanediol 702.44
    bromobenzene 2522.89
    dibromomethane 4596.4
    1,1,2,2-tetrachloroethane 6545.26
    2-methyl-cyclohexyl acetate 1026.57
    tetrabutyl urea 611.53
    diisobutyl methanol 315.82
    2-phenylethanol 659.86
    styrene 856.46
    dioctyl adipate 730.68
    dimethyl sulfate 1163.21
    ethyl butyrate 1550.11
    methyl lactate 662.92
    butyl lactate 1022.92
    diethyl carbonate 876.73
    propanediol butyl ether 647.19
    triethyl orthoformate 944.81
    p-tert-butyltoluene 298.63
    methyl 4-tert-butylbenzoate 1072.9
    morpholine 3882.56
    tert-butylamine 1019.69
    n-dodecanol 182.46
    dimethoxymethane 1941.25
    ethylene carbonate 2157.71
    cyrene 741.35
    2-ethoxyethyl acetate 2073.25
    2-ethylhexyl acetate 1516.25
    1,2,4-trichlorobenzene 2212.24
    4-methylpyridine 3397.99
    dibutyl ether 1072.09
    2,6-dimethyl-4-heptanol 315.82
    DEF 3521.29
    dimethyl isosorbide 1248.91
    tetrachloroethylene 4186.95
    eugenol 819.58
    triacetin 1414.41
    span 80 598.13
    1,4-butanediol 269.11
    1,1-dichloroethane 5163.34
    2-methyl-1-pentanol 821.67
    methyl formate 1011.38
    2-methyl-1-butanol 1280.7
    n-decane 98.21
    butyronitrile 2090.27
    3,7-dimethyl-1-octanol 461.44
    1-chlorooctane 567.24
    1-chlorotetradecane 163.37
    n-nonane 98.58
    undecane 59.29
    tert-butylcyclohexane 158.77
    cyclooctane 206.06
    cyclopentanol 1902.99
    tetrahydropyran 4948.42
    tert-amyl methyl ether 1729.02
    2,5,8-trioxanonane 1202.07
    1-hexene 736.27
    2-isopropoxyethanol 994.49
    2,2,2-trifluoroethanol 503.97
    methyl butyrate 3069.28

    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