2(3H)-Furanone, 5-[5,11-dihydroxy-11-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]undecyl]dihydro-3-(2-oxopropyl)-

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  • Identifiers

    CAS number
    142474-61-1

    Molecular formula
    C35H64O7

    SMILES
    CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(CCCCC2CC(C(=O)O2)CC(=O)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 38.1%
    Lactonic 34.84%
    Peach 32.25%
    Fresh 31.91%
    Fruity 31.02%
    Odorless 29.99%
    Sweet 29.41%
    Fatty 27.85%
    Milky 27.81%
    Waxy 27.48%

     

    Flavor
    Fatty 35.54%
    Oily 31.96%
    Waxy 30.83%
    Mild 30.52%
    Floral 28.5%
    Herbal 26.14%
    Odorless 25.27%
    Bland 24.96%
    Fresh 24.38%
    Green 24.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    8.42 (weak base)

    Molecular weight
    596.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1337°C

    Flash point

    • 250.65 ˚C est.

  • Synonyms

    • 142474-61-1
    • 2(3H)-Furanone, 5-[5,11-dihydroxy-11-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]undecyl]dihydro-3-(2-oxopropyl)-
    • 2(3H)-Furanone, 5-(5,11-dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-
    • RefChem:241618
    • isoannoreticuin
    • CHEBI:190797
    • DTXSID301107363
    • 5-[5,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
    • 142474-61-1

  • Applications

    For 2(3H)-Furanone, 5-[5,11-dihydroxy-11-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]undecyl]dihydro-3-(2-oxopropyl)- (CAS 142474-61-1), commonly evaluated as a fragrance ingredient and odorant, this lactone-containing derivative can function as a perfumery component and potential fixative due to its lactone structure. In cosmetics and personal care, it may be used to impart specific aromatic notes and as a formulation-level fragrance additive. The compound may also find use in household products (such as cleaners and air fresheners) to contribute aroma profiles. In flavor applications, it may be evaluated as a flavoring ingredient where permitted, and in broader industrial manufacturing it can serve as an intermediate in fragrance-related syntheses or chemical intermediates for specialty coatings or inks. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.58
    methanol 7.39
    isopropanol 2.11
    water 0.08
    ethyl acetate 9.56
    n-propanol 4.85
    acetone 11.46
    n-butanol 4.51
    acetonitrile 3.09
    DMF 23.56
    toluene 4.43
    isobutanol 3.15
    1,4-dioxane 20.92
    methyl acetate 7.86
    THF 74.59
    2-butanone 14.47
    n-pentanol 5.4
    sec-butanol 3.66
    n-hexane 0.38
    ethylene glycol 0.87
    NMP 99.23
    cyclohexane 0.68
    DMSO 40.75
    n-butyl acetate 9.67
    n-octanol 8.12
    chloroform 41.71
    n-propyl acetate 10.37
    acetic acid 19.01
    dichloromethane 38.35
    cyclohexanone 45.54
    propylene glycol 2.05
    isopropyl acetate 9.44
    DMAc 79.26
    2-ethoxyethanol 19.6
    isopentanol 4.18
    n-heptane 0.41
    ethyl formate 8.68
    1,2-dichloroethane 16.93
    n-hexanol 3.99
    2-methoxyethanol 18.84
    isobutyl acetate 7.54
    tetrachloromethane 5.41
    n-pentyl acetate 23.64
    transcutol 96.29
    n-heptanol 6.87
    ethylbenzene 3.8
    MIBK 10.07
    2-propoxyethanol 19.65
    tert-butanol 2.86
    MTBE 5.43
    2-butoxyethanol 28.43
    propionic acid 8.99
    o-xylene 4.39
    formic acid 8.63
    diethyl ether 4.26
    m-xylene 3.54
    p-xylene 4.52
    chlorobenzene 8.88
    dimethyl carbonate 7.72
    n-octane 0.34
    formamide 10.94
    cyclopentanone 54.9
    2-pentanone 13.4
    anisole 9.99
    cyclopentyl methyl ether 21.17
    gamma-butyrolactone 63.14
    1-methoxy-2-propanol 16.4
    pyridine 20.71
    3-pentanone 11.68
    furfural 48.98
    n-dodecane 0.27
    diethylene glycol 8.44
    diisopropyl ether 1.75
    tert-amyl alcohol 5.08
    acetylacetone 21.44
    n-hexadecane 0.32
    acetophenone 16.6
    methyl propionate 11.0
    isopentyl acetate 11.47
    trichloroethylene 43.85
    n-nonanol 8.86
    cyclohexanol 7.54
    benzyl alcohol 9.01
    2-ethylhexanol 3.8
    isooctanol 6.01
    dipropyl ether 5.59
    1,2-dichlorobenzene 12.01
    ethyl lactate 9.71
    propylene carbonate 30.41
    n-methylformamide 11.59
    2-pentanol 2.78
    n-pentane 0.25
    1-propoxy-2-propanol 16.24
    1-methoxy-2-propyl acetate 18.9
    2-(2-methoxypropoxy) propanol 27.03
    mesitylene 2.09
    ε-caprolactone 54.87
    p-cymene 2.85
    epichlorohydrin 57.38
    1,1,1-trichloroethane 15.09
    2-aminoethanol 3.17
    morpholine-4-carbaldehyde 64.61
    sulfolane 113.62
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 31.73
    n-hexyl acetate 26.73
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 38.24
    sec-butyl acetate 8.88
    tert-butyl acetate 13.76
    decalin 0.83
    glycerin 5.4
    diglyme 73.22
    acrylic acid 9.22
    isopropyl myristate 7.02
    n-butyric acid 18.43
    acetyl acetate 9.59
    di(2-ethylhexyl) phthalate 10.0
    ethyl propionate 10.12
    nitromethane 29.97
    1,2-diethoxyethane 19.23
    benzonitrile 8.42
    trioctyl phosphate 6.65
    1-bromopropane 6.6
    gamma-valerolactone 104.71
    n-decanol 4.92
    triethyl phosphate 9.11
    4-methyl-2-pentanol 2.38
    propionitrile 3.32
    vinylene carbonate 26.94
    1,1,2-trichlorotrifluoroethane 56.33
    DMS 12.12
    cumene 3.0
    2-octanol 4.96
    2-hexanone 13.05
    octyl acetate 11.15
    limonene 4.22
    1,2-dimethoxyethane 28.88
    ethyl orthosilicate 9.61
    tributyl phosphate 8.25
    diacetone alcohol 19.58
    N,N-dimethylaniline 9.31
    acrylonitrile 5.07
    aniline 6.32
    1,3-propanediol 5.47
    bromobenzene 9.07
    dibromomethane 17.77
    1,1,2,2-tetrachloroethane 41.24
    2-methyl-cyclohexyl acetate 14.18
    tetrabutyl urea 13.01
    diisobutyl methanol 2.3
    2-phenylethanol 8.52
    styrene 3.75
    dioctyl adipate 14.61
    dimethyl sulfate 24.26
    ethyl butyrate 10.67
    methyl lactate 11.53
    butyl lactate 22.29
    diethyl carbonate 6.31
    propanediol butyl ether 23.07
    triethyl orthoformate 12.88
    p-tert-butyltoluene 2.67
    methyl 4-tert-butylbenzoate 29.38
    morpholine 31.55
    tert-butylamine 1.49
    n-dodecanol 2.84
    dimethoxymethane 18.59
    ethylene carbonate 22.19
    cyrene 33.83
    2-ethoxyethyl acetate 35.86
    2-ethylhexyl acetate 9.77
    1,2,4-trichlorobenzene 17.28
    4-methylpyridine 16.82
    dibutyl ether 8.94
    2,6-dimethyl-4-heptanol 2.3
    DEF 20.83
    dimethyl isosorbide 51.39
    tetrachloroethylene 25.37
    eugenol 26.05
    triacetin 34.96
    span 80 23.57
    1,4-butanediol 2.97
    1,1-dichloroethane 11.01
    2-methyl-1-pentanol 5.77
    methyl formate 9.46
    2-methyl-1-butanol 4.92
    n-decane 0.71
    butyronitrile 4.05
    3,7-dimethyl-1-octanol 6.18
    1-chlorooctane 4.88
    1-chlorotetradecane 1.2
    n-nonane 0.57
    undecane 0.41
    tert-butylcyclohexane 0.58
    cyclooctane 0.37
    cyclopentanol 9.88
    tetrahydropyran 20.09
    tert-amyl methyl ether 7.29
    2,5,8-trioxanonane 43.1
    1-hexene 1.74
    2-isopropoxyethanol 13.83
    2,2,2-trifluoroethanol 11.35
    methyl butyrate 15.27

    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