2(5H)-Furanone, 5-methyl-3-(2,7,13-trihydroxy-13-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)tridecyl)-

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  • Identifiers

    CAS number
    142488-56-0

    Molecular formula
    C35H64O7

    SMILES
    CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(CCCCC(CC2=CC(OC2=O)C)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 39.93%
    Odorless 33.49%
    Lactonic 32.76%
    Fruity 32.42%
    Sweet 31.45%
    Fresh 31.04%
    Peach 29.81%
    Fatty 27.61%
    Milky 26.76%
    Waxy 26.59%

     

    Flavor
    Mild 29.94%
    Fatty 29.63%
    Odorless 29.53%
    Bland 27.74%
    Herbal 24.92%
    Waxy 24.78%
    Oily 24.04%
    Floral 21.88%
    Sweet-like 21.28%
    Bitter 21.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    8.59 (weak base)

    Molecular weight
    596.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1812°C

    Melting point expt.

    • 75 - 77 °C

    Flash point

    • 251.71 ˚C est.

  • Synonyms

    • 142488-56-0
    • 2(5H)-Furanone, 5-methyl-3-[2,7,13-trihydroxy-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-
    • 2(5H)-Furanone, 5-methyl-3-(2,7,13-trihydroxy-13-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)tridecyl)-
    • RefChem:241809
    • DTXSID201111587
    • 5-Methyl-3-{2,7,13-trihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}furan-2(5H)-one
    • 142488-56-0

  • Applications

    Chemical name: 2(5H)-Furanone, 5-methyl-3-(2,7,13-trihydroxy-13-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)tridecyl)- CAS number: 142488-56-0. In practical terms, this compound is considered for fragrance-related applications: as an odorant and fixative to extend scent in perfumery and cosmetic formulations; used as a fragrance ingredient in personal care products, providing lasting aroma; also employed in household products such as air fresheners and cleaners as a fragrance additive; as an intermediate or precursor in the synthesis of more complex fragrance molecules in industrial manufacturing; and may serve as a fragrance-related additive or processing aid in specialty polymers or coatings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.05
    methanol 8.52
    isopropanol 2.16
    water 0.09
    ethyl acetate 9.13
    n-propanol 5.25
    acetone 11.84
    n-butanol 4.83
    acetonitrile 2.78
    DMF 24.46
    toluene 4.56
    isobutanol 3.27
    1,4-dioxane 20.95
    methyl acetate 7.45
    THF 76.04
    2-butanone 14.57
    n-pentanol 5.27
    sec-butanol 3.76
    n-hexane 0.42
    ethylene glycol 0.87
    NMP 95.18
    cyclohexane 0.79
    DMSO 43.11
    n-butyl acetate 8.57
    n-octanol 8.77
    chloroform 36.96
    n-propyl acetate 9.06
    acetic acid 18.32
    dichloromethane 33.5
    cyclohexanone 44.22
    propylene glycol 2.16
    isopropyl acetate 8.92
    DMAc 78.26
    2-ethoxyethanol 18.91
    isopentanol 4.3
    n-heptane 0.5
    ethyl formate 7.79
    1,2-dichloroethane 15.31
    n-hexanol 4.14
    2-methoxyethanol 19.59
    isobutyl acetate 6.61
    tetrachloromethane 5.14
    n-pentyl acetate 23.72
    transcutol 88.75
    n-heptanol 7.79
    ethylbenzene 3.86
    MIBK 9.78
    2-propoxyethanol 19.31
    tert-butanol 2.88
    MTBE 5.68
    2-butoxyethanol 29.41
    propionic acid 8.95
    o-xylene 4.6
    formic acid 8.51
    diethyl ether 4.65
    m-xylene 3.73
    p-xylene 4.27
    chlorobenzene 7.67
    dimethyl carbonate 7.82
    n-octane 0.4
    formamide 10.81
    cyclopentanone 52.55
    2-pentanone 13.27
    anisole 9.67
    cyclopentyl methyl ether 21.94
    gamma-butyrolactone 57.77
    1-methoxy-2-propanol 16.7
    pyridine 19.84
    3-pentanone 11.85
    furfural 42.94
    n-dodecane 0.31
    diethylene glycol 8.38
    diisopropyl ether 1.81
    tert-amyl alcohol 5.27
    acetylacetone 20.66
    n-hexadecane 0.36
    acetophenone 15.76
    methyl propionate 10.86
    isopentyl acetate 10.11
    trichloroethylene 38.54
    n-nonanol 9.56
    cyclohexanol 7.83
    benzyl alcohol 8.85
    2-ethylhexanol 3.86
    isooctanol 6.67
    dipropyl ether 5.75
    1,2-dichlorobenzene 10.46
    ethyl lactate 9.03
    propylene carbonate 26.07
    n-methylformamide 11.54
    2-pentanol 2.94
    n-pentane 0.3
    1-propoxy-2-propanol 15.82
    1-methoxy-2-propyl acetate 17.1
    2-(2-methoxypropoxy) propanol 25.61
    mesitylene 2.17
    ε-caprolactone 51.44
    p-cymene 2.81
    epichlorohydrin 54.99
    1,1,1-trichloroethane 13.04
    2-aminoethanol 3.28
    morpholine-4-carbaldehyde 61.66
    sulfolane 108.32
    2,2,4-trimethylpentane 0.45
    2-methyltetrahydrofuran 30.65
    n-hexyl acetate 26.09
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 36.81
    sec-butyl acetate 7.85
    tert-butyl acetate 13.05
    decalin 0.88
    glycerin 5.43
    diglyme 68.74
    acrylic acid 8.95
    isopropyl myristate 6.86
    n-butyric acid 17.54
    acetyl acetate 8.96
    di(2-ethylhexyl) phthalate 9.49
    ethyl propionate 9.12
    nitromethane 27.26
    1,2-diethoxyethane 18.7
    benzonitrile 7.37
    trioctyl phosphate 6.84
    1-bromopropane 6.34
    gamma-valerolactone 99.78
    n-decanol 5.31
    triethyl phosphate 8.12
    4-methyl-2-pentanol 2.41
    propionitrile 3.13
    vinylene carbonate 23.61
    1,1,2-trichlorotrifluoroethane 53.63
    DMS 11.47
    cumene 2.96
    2-octanol 5.45
    2-hexanone 12.09
    octyl acetate 10.81
    limonene 4.32
    1,2-dimethoxyethane 28.21
    ethyl orthosilicate 8.7
    tributyl phosphate 7.89
    diacetone alcohol 18.39
    N,N-dimethylaniline 9.12
    acrylonitrile 4.62
    aniline 6.38
    1,3-propanediol 5.74
    bromobenzene 7.91
    dibromomethane 16.14
    1,1,2,2-tetrachloroethane 37.81
    2-methyl-cyclohexyl acetate 12.93
    tetrabutyl urea 12.64
    diisobutyl methanol 2.38
    2-phenylethanol 8.22
    styrene 3.65
    dioctyl adipate 13.65
    dimethyl sulfate 23.16
    ethyl butyrate 9.26
    methyl lactate 11.46
    butyl lactate 22.38
    diethyl carbonate 5.48
    propanediol butyl ether 23.08
    triethyl orthoformate 11.67
    p-tert-butyltoluene 2.69
    methyl 4-tert-butylbenzoate 28.16
    morpholine 32.31
    tert-butylamine 1.55
    n-dodecanol 3.03
    dimethoxymethane 19.61
    ethylene carbonate 19.38
    cyrene 32.71
    2-ethoxyethyl acetate 35.03
    2-ethylhexyl acetate 8.7
    1,2,4-trichlorobenzene 14.8
    4-methylpyridine 15.04
    dibutyl ether 8.77
    2,6-dimethyl-4-heptanol 2.38
    DEF 21.0
    dimethyl isosorbide 46.86
    tetrachloroethylene 24.47
    eugenol 24.81
    triacetin 31.75
    span 80 23.8
    1,4-butanediol 2.99
    1,1-dichloroethane 9.52
    2-methyl-1-pentanol 5.81
    methyl formate 9.14
    2-methyl-1-butanol 5.24
    n-decane 0.8
    butyronitrile 3.72
    3,7-dimethyl-1-octanol 6.37
    1-chlorooctane 5.08
    1-chlorotetradecane 1.28
    n-nonane 0.65
    undecane 0.46
    tert-butylcyclohexane 0.61
    cyclooctane 0.44
    cyclopentanol 10.19
    tetrahydropyran 20.66
    tert-amyl methyl ether 7.68
    2,5,8-trioxanonane 40.24
    1-hexene 1.74
    2-isopropoxyethanol 13.29
    2,2,2-trifluoroethanol 10.95
    methyl butyrate 13.42

    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