2-methyl-4-[2,8,9,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one

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  • Identifiers

    CAS number
    167172-78-3

    Molecular formula
    C35H64O8

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.15%
    Oily 36.73%
    Lactonic 31.41%
    Sweet 30.14%
    Fruity 27.78%
    Fresh 27.58%
    Peach 27.11%
    Milky 25.85%
    Fatty 23.93%
    Buttery 23.33%

     

    Flavor
    Odorless 34.01%
    Bland 29.81%
    Mild 28.9%
    Fatty 27.45%
    Bitter 25.76%
    Sweet-like 22.94%
    Waxy 21.61%
    Herbal 21.31%
    Cedarleaf 20.79%
    Yeasty 20.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    8.41 (weak base)

    Molecular weight
    612.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2154°C

    Flash point

    • 254.16 ˚C est.

  • Synonyms

    • 167172-78-3
    • 2-methyl-4-[2,8,9,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one
    • 2(5H)-Furanone, 5-methyl-3-(2,8,9,13-tetrahydroxy-13-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)tridecyl)-
    • DTXSID60937287
    • CHEBI:197050
    • 5-Methyl-3-(2,8,9,13-tetrahydroxy-13-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)tridecyl)-2(5H)-furanone
    • 2-methyl-4-[2,8,9,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-uran-5-one
    • 5-Methyl-3-{2,8,9,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}furan-2(5H)-one
    • 167172-78-3

  • Applications

    2-methyl-4-[2,8,9,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one (CAS 167172-78-3) is a multifunctional chemical commonly evaluated for fragrance-related and industrial formulation applications. In perfumery and cosmetics, it may be used as an odorant and/or fixative due to its bulky, polyhydroxylated structure. In household products and cleaners, it can contribute scent profiles and act as a co-ingredient in formulations. In polymer and coatings technology, it may serve as a plasticizer or rheology modifier, and in inks and other industrial formulations it can function as a specialty additive to influence texture and stability. Overall, its use is governed by regulatory status and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.76
    methanol 8.92
    isopropanol 1.33
    water 0.14
    ethyl acetate 4.06
    n-propanol 3.56
    acetone 6.83
    n-butanol 2.8
    acetonitrile 1.48
    DMF 19.15
    toluene 2.11
    isobutanol 1.85
    1,4-dioxane 13.39
    methyl acetate 3.68
    THF 45.82
    2-butanone 7.12
    n-pentanol 3.12
    sec-butanol 2.14
    n-hexane 0.2
    ethylene glycol 1.01
    NMP 61.63
    cyclohexane 0.33
    DMSO 37.97
    n-butyl acetate 3.55
    n-octanol 5.68
    chloroform 13.9
    n-propyl acetate 3.71
    acetic acid 14.29
    dichloromethane 12.56
    cyclohexanone 22.03
    propylene glycol 2.16
    isopropyl acetate 3.94
    DMAc 50.2
    2-ethoxyethanol 14.0
    isopentanol 2.29
    n-heptane 0.25
    ethyl formate 4.34
    1,2-dichloroethane 6.05
    n-hexanol 2.25
    2-methoxyethanol 16.63
    isobutyl acetate 2.7
    tetrachloromethane 2.0
    n-pentyl acetate 11.85
    transcutol 60.66
    n-heptanol 5.1
    ethylbenzene 1.79
    MIBK 4.48
    2-propoxyethanol 13.26
    tert-butanol 1.57
    MTBE 2.61
    2-butoxyethanol 20.19
    propionic acid 5.83
    o-xylene 2.18
    formic acid 9.2
    diethyl ether 2.21
    m-xylene 1.79
    p-xylene 1.85
    chlorobenzene 3.08
    dimethyl carbonate 4.81
    n-octane 0.22
    formamide 10.42
    cyclopentanone 29.32
    2-pentanone 6.39
    anisole 4.77
    cyclopentyl methyl ether 11.61
    gamma-butyrolactone 31.7
    1-methoxy-2-propanol 12.35
    pyridine 10.16
    3-pentanone 5.48
    furfural 26.31
    n-dodecane 0.17
    diethylene glycol 7.18
    diisopropyl ether 0.8
    tert-amyl alcohol 2.83
    acetylacetone 11.32
    n-hexadecane 0.19
    acetophenone 8.06
    methyl propionate 5.58
    isopentyl acetate 4.11
    trichloroethylene 15.95
    n-nonanol 6.08
    cyclohexanol 4.11
    benzyl alcohol 5.38
    2-ethylhexanol 1.91
    isooctanol 4.09
    dipropyl ether 2.76
    1,2-dichlorobenzene 4.06
    ethyl lactate 5.35
    propylene carbonate 13.2
    n-methylformamide 9.37
    2-pentanol 1.54
    n-pentane 0.14
    1-propoxy-2-propanol 9.73
    1-methoxy-2-propyl acetate 8.98
    2-(2-methoxypropoxy) propanol 17.08
    mesitylene 1.02
    ε-caprolactone 25.82
    p-cymene 1.25
    epichlorohydrin 29.23
    1,1,1-trichloroethane 4.45
    2-aminoethanol 3.26
    morpholine-4-carbaldehyde 44.67
    sulfolane 67.2
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 14.7
    n-hexyl acetate 13.51
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 26.21
    sec-butyl acetate 3.13
    tert-butyl acetate 5.86
    decalin 0.39
    glycerin 5.91
    diglyme 44.57
    acrylic acid 6.62
    isopropyl myristate 3.34
    n-butyric acid 9.34
    acetyl acetate 4.36
    di(2-ethylhexyl) phthalate 5.42
    ethyl propionate 3.82
    nitromethane 18.35
    1,2-diethoxyethane 10.29
    benzonitrile 3.68
    trioctyl phosphate 4.05
    1-bromopropane 2.29
    gamma-valerolactone 63.35
    n-decanol 3.29
    triethyl phosphate 3.74
    4-methyl-2-pentanol 1.23
    propionitrile 1.54
    vinylene carbonate 12.5
    1,1,2-trichlorotrifluoroethane 34.13
    DMS 6.48
    cumene 1.36
    2-octanol 3.23
    2-hexanone 5.49
    octyl acetate 5.73
    limonene 1.93
    1,2-dimethoxyethane 17.7
    ethyl orthosilicate 4.02
    tributyl phosphate 4.01
    diacetone alcohol 10.36
    N,N-dimethylaniline 4.84
    acrylonitrile 2.65
    aniline 3.45
    1,3-propanediol 4.79
    bromobenzene 2.94
    dibromomethane 5.9
    1,1,2,2-tetrachloroethane 15.55
    2-methyl-cyclohexyl acetate 5.84
    tetrabutyl urea 6.83
    diisobutyl methanol 1.15
    2-phenylethanol 4.74
    styrene 1.62
    dioctyl adipate 7.14
    dimethyl sulfate 14.67
    ethyl butyrate 3.74
    methyl lactate 8.34
    butyl lactate 13.38
    diethyl carbonate 2.29
    propanediol butyl ether 17.95
    triethyl orthoformate 5.27
    p-tert-butyltoluene 1.23
    methyl 4-tert-butylbenzoate 16.97
    morpholine 20.46
    tert-butylamine 0.76
    n-dodecanol 1.82
    dimethoxymethane 14.23
    ethylene carbonate 10.0
    cyrene 22.49
    2-ethoxyethyl acetate 19.98
    2-ethylhexyl acetate 3.47
    1,2,4-trichlorobenzene 5.93
    4-methylpyridine 7.55
    dibutyl ether 4.21
    2,6-dimethyl-4-heptanol 1.15
    DEF 11.42
    dimethyl isosorbide 27.91
    tetrachloroethylene 11.03
    eugenol 15.52
    triacetin 18.31
    span 80 16.64
    1,4-butanediol 2.42
    1,1-dichloroethane 3.23
    2-methyl-1-pentanol 3.18
    methyl formate 7.04
    2-methyl-1-butanol 2.9
    n-decane 0.43
    butyronitrile 1.71
    3,7-dimethyl-1-octanol 3.56
    1-chlorooctane 2.55
    1-chlorotetradecane 0.65
    n-nonane 0.35
    undecane 0.25
    tert-butylcyclohexane 0.26
    cyclooctane 0.21
    cyclopentanol 5.63
    tetrahydropyran 9.81
    tert-amyl methyl ether 3.63
    2,5,8-trioxanonane 27.37
    1-hexene 0.76
    2-isopropoxyethanol 8.75
    2,2,2-trifluoroethanol 8.33
    methyl butyrate 5.78

    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