3,4-Dimethyl-5-pentyl-2-furanheptanoic acid

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  • Identifiers

    CAS number
    92745-17-0

    Molecular formula
    C18H30O3

    SMILES
    CCCCCC1=C(C(=C(O1)CCCCCCC(=O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 58.97%
    Waxy 43.6%
    Dairy 34.85%
    Creamy 34.41%
    Oily 34.32%
    Meaty 34.15%
    Floral 33.19%
    Roasted 32.59%
    Milky 31.81%
    Nutty 29.9%

     

    Flavor
    Fatty 38.84%
    Oily 31.98%
    Mild 30.71%
    Herbal 30.16%
    Waxy 28.27%
    Woody 26.06%
    Bland 25.45%
    Odorless 23.89%
    Musty 23.68%
    Earthy 23.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    7.74 (neutral)

    Molecular weight
    294.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    388°C

    Flash point

    • 197.82 ˚C est.

  • Synonyms

    • 3,4-Dimethyl-5-pentyl-2-furanheptanoic acid
    • 7-(3,4-DIMETHYL-5-PENTYLFURAN-2-YL)HEPTANOIC ACID
    • DTXSID40553383
    • RefChem:91204
    • DTXCID70504166
    • 7-(3,4-dimethyl-5-pentylfuran-2-yl)-heptanoic acid
    • 7D5
    • 92745-17-0
    • F0 acid
    • DiMe(7,5)
    • SCHEMBL12260171
    • CHEBI:165397
    • LMFA01150027
    • 7-(3,4-dimethyl-5-pentyl-2-furyl)heptanoic acid
    • 7-(3,4-dimethyl-5-pentyluran-2-yl)heptanoic acid
    • 8,11-Epoxy-9,10-dimethyl-8,10-hexadienoic acid
    • 7-(5-pentyl-3,4-dimethylfuran-2-yl)-heptanoic acid
    • 8,11-epoxy-9,10-dimethylhexadeca-8,10-dienoic acid
    • 92745-17-0

  • Applications

    3,4-Dimethyl-5-pentyl-2-furanheptanoic acid (CAS number: 92745-17-0) is primarily utilized in fragrance chemistry as an odorant and fragrance intermediate, contributing to woody and green aroma notes and serving as a building block for more complex aroma chemicals. In cosmetics and personal care, it may be used as a fragrance ingredient in formulations such as perfumes, lotions, and creams, subject to regulatory and formulation limits. The compound is also evaluated for flavor/aroma applications as a rare aroma precursor in select flavor systems, and can appear in household products as an odorant additive for air fresheners and cleaners. In industrial manufacturing, it often serves as an intermediate for synthesis of specialty aroma chemicals and other furan-based intermediates, and in coatings/inks and polymers/plastics it can function as a fragrance modifier or building block for fragrance-containing polymer additives, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1067.17
    methanol 1070.6
    isopropanol 949.39
    water 0.07
    ethyl acetate 1132.44
    n-propanol 961.88
    acetone 1399.42
    n-butanol 857.95
    acetonitrile 327.0
    DMF 1808.12
    toluene 415.54
    isobutanol 748.47
    1,4-dioxane 1798.66
    methyl acetate 839.53
    THF 2666.1
    2-butanone 1388.65
    n-pentanol 632.24
    sec-butanol 870.16
    n-hexane 65.36
    ethylene glycol 27.22
    NMP 1127.92
    cyclohexane 113.78
    DMSO 901.08
    n-butyl acetate 933.85
    n-octanol 139.19
    chloroform 1736.53
    n-propyl acetate 889.72
    acetic acid 290.1
    dichloromethane 1936.84
    cyclohexanone 1740.48
    propylene glycol 91.61
    isopropyl acetate 926.51
    DMAc 2029.82
    2-ethoxyethanol 969.76
    isopentanol 797.34
    n-heptane 16.07
    ethyl formate 430.15
    1,2-dichloroethane 1414.21
    n-hexanol 423.27
    2-methoxyethanol 1114.24
    isobutyl acetate 672.11
    tetrachloromethane 206.8
    n-pentyl acetate 577.45
    transcutol 2241.4
    n-heptanol 181.05
    ethylbenzene 237.35
    MIBK 743.13
    2-propoxyethanol 936.07
    tert-butanol 964.7
    MTBE 1906.44
    2-butoxyethanol 478.86
    propionic acid 331.47
    o-xylene 252.13
    formic acid 64.55
    diethyl ether 1768.94
    m-xylene 270.14
    p-xylene 323.31
    chlorobenzene 543.36
    dimethyl carbonate 208.01
    n-octane 10.94
    formamide 154.58
    cyclopentanone 1539.88
    2-pentanone 1293.35
    anisole 619.54
    cyclopentyl methyl ether 1182.3
    gamma-butyrolactone 1257.61
    1-methoxy-2-propanol 1004.46
    pyridine 1108.27
    3-pentanone 819.81
    furfural 827.24
    n-dodecane 9.31
    diethylene glycol 333.13
    diisopropyl ether 348.13
    tert-amyl alcohol 908.57
    acetylacetone 961.64
    n-hexadecane 11.4
    acetophenone 530.24
    methyl propionate 749.15
    isopentyl acetate 902.91
    trichloroethylene 1902.0
    n-nonanol 140.8
    cyclohexanol 665.05
    benzyl alcohol 411.4
    2-ethylhexanol 241.24
    isooctanol 174.66
    dipropyl ether 384.76
    1,2-dichlorobenzene 506.38
    ethyl lactate 221.88
    propylene carbonate 674.67
    n-methylformamide 491.81
    2-pentanol 570.8
    n-pentane 46.15
    1-propoxy-2-propanol 628.64
    1-methoxy-2-propyl acetate 779.11
    2-(2-methoxypropoxy) propanol 401.07
    mesitylene 157.63
    ε-caprolactone 1376.36
    p-cymene 103.03
    epichlorohydrin 1964.17
    1,1,1-trichloroethane 916.63
    2-aminoethanol 162.12
    morpholine-4-carbaldehyde 1329.73
    sulfolane 1187.32
    2,2,4-trimethylpentane 43.38
    2-methyltetrahydrofuran 2014.18
    n-hexyl acetate 604.71
    isooctane 26.62
    2-(2-butoxyethoxy)ethanol 593.14
    sec-butyl acetate 718.05
    tert-butyl acetate 960.43
    decalin 60.78
    glycerin 114.1
    diglyme 1288.13
    acrylic acid 168.09
    isopropyl myristate 196.74
    n-butyric acid 810.77
    acetyl acetate 451.69
    di(2-ethylhexyl) phthalate 182.35
    ethyl propionate 664.07
    nitromethane 628.44
    1,2-diethoxyethane 1147.3
    benzonitrile 395.73
    trioctyl phosphate 113.62
    1-bromopropane 897.41
    gamma-valerolactone 2102.27
    n-decanol 95.56
    triethyl phosphate 202.3
    4-methyl-2-pentanol 322.25
    propionitrile 465.89
    vinylene carbonate 511.37
    1,1,2-trichlorotrifluoroethane 672.53
    DMS 419.0
    cumene 151.98
    2-octanol 138.55
    2-hexanone 870.58
    octyl acetate 246.51
    limonene 181.91
    1,2-dimethoxyethane 2031.54
    ethyl orthosilicate 226.78
    tributyl phosphate 167.8
    diacetone alcohol 713.28
    N,N-dimethylaniline 360.45
    acrylonitrile 365.88
    aniline 467.32
    1,3-propanediol 400.52
    bromobenzene 592.55
    dibromomethane 1189.99
    1,1,2,2-tetrachloroethane 1646.88
    2-methyl-cyclohexyl acetate 441.52
    tetrabutyl urea 221.67
    diisobutyl methanol 136.83
    2-phenylethanol 347.72
    styrene 317.61
    dioctyl adipate 290.75
    dimethyl sulfate 329.67
    ethyl butyrate 543.62
    methyl lactate 201.94
    butyl lactate 328.93
    diethyl carbonate 293.17
    propanediol butyl ether 303.08
    triethyl orthoformate 362.52
    p-tert-butyltoluene 104.01
    methyl 4-tert-butylbenzoate 383.3
    morpholine 2661.64
    tert-butylamine 604.2
    n-dodecanol 69.88
    dimethoxymethane 1347.79
    ethylene carbonate 529.27
    cyrene 389.3
    2-ethoxyethyl acetate 801.61
    2-ethylhexyl acetate 691.36
    1,2,4-trichlorobenzene 565.39
    4-methylpyridine 1200.96
    dibutyl ether 343.49
    2,6-dimethyl-4-heptanol 136.83
    DEF 1413.18
    dimethyl isosorbide 696.36
    tetrachloroethylene 981.93
    eugenol 354.26
    triacetin 466.81
    span 80 308.63
    1,4-butanediol 164.02
    1,1-dichloroethane 1208.23
    2-methyl-1-pentanol 630.06
    methyl formate 256.48
    2-methyl-1-butanol 754.41
    n-decane 17.63
    butyronitrile 658.09
    3,7-dimethyl-1-octanol 181.83
    1-chlorooctane 119.95
    1-chlorotetradecane 42.58
    n-nonane 14.91
    undecane 12.18
    tert-butylcyclohexane 53.57
    cyclooctane 22.45
    cyclopentanol 615.45
    tetrahydropyran 2385.41
    tert-amyl methyl ether 1000.84
    2,5,8-trioxanonane 725.63
    1-hexene 371.19
    2-isopropoxyethanol 732.3
    2,2,2-trifluoroethanol 98.55
    methyl butyrate 976.51

    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