2(5H)-Furanone, 3-[2,13-dihydroxy-9-oxo-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-5-methyl-

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  • Identifiers

    CAS number
    155709-42-5

    Molecular formula
    C35H62O7

    SMILES
    CCCCCCCCCCCCC(C1CCC(O1)C(CCCC(=O)CCCCCCC(CC2=CC(OC2=O)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 34.43%
    Oily 34.43%
    Lactonic 33.97%
    Peach 30.99%
    Fresh 27.96%
    Fatty 27.85%
    Milky 27.52%
    Waxy 25.93%
    Fruity 24.97%
    Sweet 24.83%

     

    Flavor
    Bland 29.65%
    Odorless 29.12%
    Mild 28.49%
    Fatty 27.32%
    Herbal 26.27%
    Oily 24.65%
    Bitter 23.54%
    Waxy 23.45%
    Slightly waxy 21.02%
    Cedarleaf 20.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    8.45 (weak base)

    Molecular weight
    594.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1585°C

    Flash point

    • 244.62 ˚C est.

  • Synonyms

    • 155709-42-5
    • 2(5H)-Furanone, 3-[2,13-dihydroxy-9-oxo-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-5-methyl-
    • 2(5H)-Furanone, 3-(2,13-dihydroxy-9-oxo-13-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)tridecyl)-5-methyl-
    • RefChem:241754
    • Reticulacinone
    • CHEBI:171856
    • DTXSID501110188
    • 4-[2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-9-oxotridecyl]-2-methyl-2H-uran-5-one
    • 155709-42-5

  • Applications

    2(5H)-Furanone, 3-[2,13-dihydroxy-9-oxo-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-5-methyl- (CAS 155709-42-5) is commonly used as a fragrance ingredient and fixative in perfumery and cosmetics, contributing to long-lasting aroma profiles. It is also employed in household products such as air fresheners and cleaners to impart persistent scent. In coatings and inks, it can function as an odorant additive to introduce characteristic notes. In polymers and plastics, it may act as a fragrance modifier or release agent within scented formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.91
    methanol 11.24
    isopropanol 2.31
    water 0.1
    ethyl acetate 11.45
    n-propanol 6.38
    acetone 13.99
    n-butanol 5.76
    acetonitrile 3.95
    DMF 32.93
    toluene 5.71
    isobutanol 3.85
    1,4-dioxane 24.37
    methyl acetate 9.95
    THF 73.64
    2-butanone 17.92
    n-pentanol 6.07
    sec-butanol 4.34
    n-hexane 0.36
    ethylene glycol 1.13
    NMP 129.79
    cyclohexane 0.68
    DMSO 43.47
    n-butyl acetate 9.39
    n-octanol 8.1
    chloroform 52.62
    n-propyl acetate 10.5
    acetic acid 25.44
    dichloromethane 50.91
    cyclohexanone 52.71
    propylene glycol 2.6
    isopropyl acetate 10.01
    DMAc 102.36
    2-ethoxyethanol 22.25
    isopentanol 4.88
    n-heptane 0.39
    ethyl formate 10.04
    1,2-dichloroethane 20.91
    n-hexanol 4.24
    2-methoxyethanol 24.27
    isobutyl acetate 7.13
    tetrachloromethane 6.02
    n-pentyl acetate 24.19
    transcutol 102.71
    n-heptanol 7.49
    ethylbenzene 4.34
    MIBK 10.46
    2-propoxyethanol 21.65
    tert-butanol 2.92
    MTBE 5.69
    2-butoxyethanol 30.47
    propionic acid 12.34
    o-xylene 5.39
    formic acid 13.37
    diethyl ether 4.84
    m-xylene 4.34
    p-xylene 4.69
    chlorobenzene 10.55
    dimethyl carbonate 10.51
    n-octane 0.31
    formamide 16.45
    cyclopentanone 63.35
    2-pentanone 15.23
    anisole 11.6
    cyclopentyl methyl ether 23.45
    gamma-butyrolactone 75.83
    1-methoxy-2-propanol 20.0
    pyridine 26.54
    3-pentanone 13.87
    furfural 60.98
    n-dodecane 0.25
    diethylene glycol 10.07
    diisopropyl ether 1.67
    tert-amyl alcohol 5.56
    acetylacetone 24.79
    n-hexadecane 0.3
    acetophenone 19.43
    methyl propionate 13.95
    isopentyl acetate 10.53
    trichloroethylene 58.43
    n-nonanol 8.73
    cyclohexanol 8.85
    benzyl alcohol 11.47
    2-ethylhexanol 3.72
    isooctanol 6.31
    dipropyl ether 5.16
    1,2-dichlorobenzene 14.43
    ethyl lactate 10.6
    propylene carbonate 34.95
    n-methylformamide 16.38
    2-pentanol 3.22
    n-pentane 0.27
    1-propoxy-2-propanol 16.47
    1-methoxy-2-propyl acetate 19.71
    2-(2-methoxypropoxy) propanol 27.49
    mesitylene 2.35
    ε-caprolactone 64.51
    p-cymene 2.79
    epichlorohydrin 70.27
    1,1,1-trichloroethane 16.68
    2-aminoethanol 4.19
    morpholine-4-carbaldehyde 81.9
    sulfolane 127.78
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 32.78
    n-hexyl acetate 26.54
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 39.36
    sec-butyl acetate 8.56
    tert-butyl acetate 13.87
    decalin 0.83
    glycerin 6.94
    diglyme 77.1
    acrylic acid 13.16
    isopropyl myristate 6.57
    n-butyric acid 21.94
    acetyl acetate 11.97
    di(2-ethylhexyl) phthalate 10.43
    ethyl propionate 10.59
    nitromethane 38.9
    1,2-diethoxyethane 18.63
    benzonitrile 9.9
    trioctyl phosphate 6.86
    1-bromopropane 7.43
    gamma-valerolactone 125.78
    n-decanol 4.75
    triethyl phosphate 8.85
    4-methyl-2-pentanol 2.51
    propionitrile 4.24
    vinylene carbonate 32.53
    1,1,2-trichlorotrifluoroethane 72.16
    DMS 14.01
    cumene 3.11
    2-octanol 4.99
    2-hexanone 13.11
    octyl acetate 10.68
    limonene 4.25
    1,2-dimethoxyethane 31.23
    ethyl orthosilicate 9.02
    tributyl phosphate 8.27
    diacetone alcohol 20.42
    N,N-dimethylaniline 10.36
    acrylonitrile 6.79
    aniline 8.59
    1,3-propanediol 7.07
    bromobenzene 10.78
    dibromomethane 22.34
    1,1,2,2-tetrachloroethane 51.95
    2-methyl-cyclohexyl acetate 13.59
    tetrabutyl urea 13.15
    diisobutyl methanol 2.12
    2-phenylethanol 9.73
    styrene 4.47
    dioctyl adipate 14.12
    dimethyl sulfate 30.05
    ethyl butyrate 9.94
    methyl lactate 14.71
    butyl lactate 23.59
    diethyl carbonate 6.16
    propanediol butyl ether 24.41
    triethyl orthoformate 12.03
    p-tert-butyltoluene 2.53
    methyl 4-tert-butylbenzoate 31.15
    morpholine 38.48
    tert-butylamine 1.53
    n-dodecanol 2.72
    dimethoxymethane 23.74
    ethylene carbonate 25.6
    cyrene 38.93
    2-ethoxyethyl acetate 39.7
    2-ethylhexyl acetate 9.13
    1,2,4-trichlorobenzene 20.88
    4-methylpyridine 20.19
    dibutyl ether 8.08
    2,6-dimethyl-4-heptanol 2.12
    DEF 26.29
    dimethyl isosorbide 51.5
    tetrachloroethylene 33.27
    eugenol 27.72
    triacetin 37.15
    span 80 25.44
    1,4-butanediol 3.68
    1,1-dichloroethane 12.55
    2-methyl-1-pentanol 6.36
    methyl formate 12.56
    2-methyl-1-butanol 6.11
    n-decane 0.64
    butyronitrile 4.8
    3,7-dimethyl-1-octanol 6.0
    1-chlorooctane 4.64
    1-chlorotetradecane 1.14
    n-nonane 0.51
    undecane 0.37
    tert-butylcyclohexane 0.54
    cyclooctane 0.38
    cyclopentanol 11.51
    tetrahydropyran 21.96
    tert-amyl methyl ether 8.01
    2,5,8-trioxanonane 44.4
    1-hexene 1.67
    2-isopropoxyethanol 14.88
    2,2,2-trifluoroethanol 14.93
    methyl butyrate 15.49

    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