5-Hexyltetrahydro-2-furanoctanoic acid

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  • Identifiers

    CAS number
    61781-98-4

    Molecular formula
    C18H34O3

    SMILES
    CCCCCCC1CCC(O1)CCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 61.59%
    Waxy 51.62%
    Oily 45.96%
    Peach 41.26%
    Floral 40.92%
    Citrus 40.31%
    Fruity 38.73%
    Milky 37.5%
    Creamy 37.49%
    Lactonic 37.45%

     

    Flavor
    Fatty 65.46%
    Waxy 55.16%
    Oily 43.69%
    Creamy 39.44%
    Coconut 39.04%
    Fat 36.66%
    Fruity 35.75%
    Mild 30.83%
    Cheese 29.68%
    Green 29.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.02 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    397°C

    Flash point

    • 189.19 ˚C est.

  • Synonyms

    • 8-(5-HEXYLOXOLAN-2-YL)OCTANOIC ACID
    • 5-Hexyltetrahydro-2-furanoctanoic acid
    • DTXSID60705726
    • RefChem:303311
    • DTXCID90656474
    • 61781-98-4
    • 9,12-Epoxyoctadecanoic acid
    • SCHEMBL8388442
    • CHEBI:174846
    • 61781-98-4

  • Applications

    5-Hexyltetrahydro-2-furanoctanoic acid, CAS 61781-98-4, is primarily used as a chemical building block in industrial manufacturing, serving as an intermediate for the synthesis of specialty polymers and performance additives. In polymer and plastics formulations, it can function as a monomer or a plasticizer or modifier to tailor properties. In coatings and inks, it can act as a reactive diluent or formulation component that participates in esterification or crosslinking. In adhesives, it can serve as a resin modifier or coupling agent to improve bonding. It may also be used as a solvent or co-solvent in various processing and cleaning formulations. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 567.4
    methanol 493.65
    isopropanol 561.68
    water 0.07
    ethyl acetate 680.86
    n-propanol 504.98
    acetone 661.24
    n-butanol 491.84
    acetonitrile 197.14
    DMF 640.28
    toluene 163.1
    isobutanol 428.04
    1,4-dioxane 622.08
    methyl acetate 371.5
    THF 1697.75
    2-butanone 577.85
    n-pentanol 356.68
    sec-butanol 453.06
    n-hexane 56.62
    ethylene glycol 24.87
    NMP 760.55
    cyclohexane 117.93
    DMSO 1018.76
    n-butyl acetate 681.65
    n-octanol 179.04
    chloroform 1119.06
    n-propyl acetate 761.62
    acetic acid 273.87
    dichloromethane 1136.57
    cyclohexanone 1154.04
    propylene glycol 89.36
    isopropyl acetate 741.0
    DMAc 857.7
    2-ethoxyethanol 552.21
    isopentanol 546.24
    n-heptane 31.99
    ethyl formate 291.81
    1,2-dichloroethane 827.87
    n-hexanol 308.38
    2-methoxyethanol 651.42
    isobutyl acetate 592.55
    tetrachloromethane 202.8
    n-pentyl acetate 603.8
    transcutol 1942.23
    n-heptanol 191.17
    ethylbenzene 129.1
    MIBK 629.55
    2-propoxyethanol 599.2
    tert-butanol 691.96
    MTBE 833.96
    2-butoxyethanol 454.42
    propionic acid 285.57
    o-xylene 149.84
    formic acid 66.45
    diethyl ether 619.2
    m-xylene 155.98
    p-xylene 183.47
    chlorobenzene 314.5
    dimethyl carbonate 130.95
    n-octane 16.57
    formamide 118.87
    cyclopentanone 1091.44
    2-pentanone 720.79
    anisole 319.24
    cyclopentyl methyl ether 744.53
    gamma-butyrolactone 1030.0
    1-methoxy-2-propanol 710.12
    pyridine 486.06
    3-pentanone 412.3
    furfural 637.74
    n-dodecane 13.0
    diethylene glycol 276.64
    diisopropyl ether 242.19
    tert-amyl alcohol 546.15
    acetylacetone 744.0
    n-hexadecane 16.09
    acetophenone 370.83
    methyl propionate 417.36
    isopentyl acetate 695.97
    trichloroethylene 1123.77
    n-nonanol 173.09
    cyclohexanol 514.0
    benzyl alcohol 236.21
    2-ethylhexanol 231.7
    isooctanol 190.3
    dipropyl ether 357.52
    1,2-dichlorobenzene 348.81
    ethyl lactate 251.38
    propylene carbonate 659.49
    n-methylformamide 251.88
    2-pentanol 402.72
    n-pentane 38.88
    1-propoxy-2-propanol 542.84
    1-methoxy-2-propyl acetate 660.02
    2-(2-methoxypropoxy) propanol 384.37
    mesitylene 122.28
    ε-caprolactone 1025.98
    p-cymene 102.96
    epichlorohydrin 1087.03
    1,1,1-trichloroethane 717.59
    2-aminoethanol 132.02
    morpholine-4-carbaldehyde 722.78
    sulfolane 1298.81
    2,2,4-trimethylpentane 38.46
    2-methyltetrahydrofuran 1139.85
    n-hexyl acetate 625.94
    isooctane 28.91
    2-(2-butoxyethoxy)ethanol 579.39
    sec-butyl acetate 597.98
    tert-butyl acetate 798.68
    decalin 60.55
    glycerin 125.37
    diglyme 1100.09
    acrylic acid 151.29
    isopropyl myristate 211.32
    n-butyric acid 724.33
    acetyl acetate 388.32
    di(2-ethylhexyl) phthalate 174.43
    ethyl propionate 549.23
    nitromethane 517.06
    1,2-diethoxyethane 731.62
    benzonitrile 297.73
    trioctyl phosphate 132.85
    1-bromopropane 545.66
    gamma-valerolactone 1375.48
    n-decanol 114.64
    triethyl phosphate 223.45
    4-methyl-2-pentanol 272.89
    propionitrile 251.62
    vinylene carbonate 435.83
    1,1,2-trichlorotrifluoroethane 661.74
    DMS 318.87
    cumene 110.04
    2-octanol 155.45
    2-hexanone 600.06
    octyl acetate 255.92
    limonene 183.35
    1,2-dimethoxyethane 949.61
    ethyl orthosilicate 229.59
    tributyl phosphate 181.3
    diacetone alcohol 655.88
    N,N-dimethylaniline 214.29
    acrylonitrile 221.39
    aniline 230.03
    1,3-propanediol 332.94
    bromobenzene 341.82
    dibromomethane 725.24
    1,1,2,2-tetrachloroethane 1125.73
    2-methyl-cyclohexyl acetate 405.47
    tetrabutyl urea 234.19
    diisobutyl methanol 157.25
    2-phenylethanol 250.95
    styrene 160.95
    dioctyl adipate 316.7
    dimethyl sulfate 275.43
    ethyl butyrate 514.55
    methyl lactate 206.08
    butyl lactate 401.49
    diethyl carbonate 284.2
    propanediol butyl ether 362.35
    triethyl orthoformate 384.02
    p-tert-butyltoluene 100.03
    methyl 4-tert-butylbenzoate 376.78
    morpholine 985.48
    tert-butylamine 415.77
    n-dodecanol 81.78
    dimethoxymethane 551.8
    ethylene carbonate 478.08
    cyrene 323.96
    2-ethoxyethyl acetate 665.17
    2-ethylhexyl acetate 504.34
    1,2,4-trichlorobenzene 402.53
    4-methylpyridine 514.57
    dibutyl ether 391.3
    2,6-dimethyl-4-heptanol 157.25
    DEF 712.52
    dimethyl isosorbide 653.94
    tetrachloroethylene 692.07
    eugenol 304.16
    triacetin 569.53
    span 80 336.75
    1,4-butanediol 128.3
    1,1-dichloroethane 749.3
    2-methyl-1-pentanol 362.57
    methyl formate 144.57
    2-methyl-1-butanol 428.68
    n-decane 28.9
    butyronitrile 377.83
    3,7-dimethyl-1-octanol 219.7
    1-chlorooctane 157.72
    1-chlorotetradecane 51.12
    n-nonane 26.61
    undecane 18.19
    tert-butylcyclohexane 50.13
    cyclooctane 32.66
    cyclopentanol 525.02
    tetrahydropyran 1104.21
    tert-amyl methyl ether 528.52
    2,5,8-trioxanonane 654.26
    1-hexene 227.17
    2-isopropoxyethanol 494.17
    2,2,2-trifluoroethanol 110.73
    methyl butyrate 752.73

    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