2-methyl-4-[(2R,13R)-2,6,10,13-tetrahydroxy-13-[5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    205304-30-9

    Molecular formula
    C35H64O8

    SMILES
    CCCCCCCCCCCC[C@H](C1CCC(O1)[C@@H](CCC(CCCC(CCC[C@H](CC2=CC(OC2=O)C)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 38.96%
    Sweet 35.74%
    Odorless 35.36%
    Lactonic 33.09%
    Fruity 32.71%
    Peach 30.25%
    Fresh 29.16%
    Fatty 27.5%
    Milky 27.47%
    Buttery 26.6%

     

    Flavor
    Odorless 33.52%
    Mild 29.23%
    Fatty 28.22%
    Bland 27.3%
    Bitter 26.17%
    Sweet-like 22.76%
    Herbal 22.41%
    Oily 21.06%
    Yeasty 20.81%
    Cedarleaf 20.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    8.13 (weak base)

    Molecular weight
    612.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2282°C

    Flash point

    • 249.53 ˚C est.

  • Synonyms

    • 205304-30-9
    • 2-methyl-4-[(2R,13R)-2,6,10,13-tetrahydroxy-13-[5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
    • 2(5H)-Furanone, 5-methyl-3-((13R)-2,6,10,13-tetrahydroxy-13-((2R,5R)-tetrahydro-5-((1R)-1-hydroxytridecyl)-2-furanyl)tridecyl)-, rel-(+)-
    • DTXSID50942704
    • 5-Methyl-3-[(2R,13R)-2,6,10,13-tetrahydroxy-13-{5-[(1R)-1-hydroxytridecyl]oxolan-2-yl}tridecyl]furan-2(5H)-one
    • 5-Methyl-3-{2,6,10,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}furan-2(5H)-one
    • 205304-30-9

  • Applications

    2-methyl-4-[(2R,13R)-2,6,10,13-tetrahydroxy-13-[5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one (CAS 205304-30-9) is a complex lactone polyol typically encountered as a fragrance ingredient and a fixative in perfumery, where its long aliphatic chain provides lasting aroma; in cosmetics and personal care formulations it may be used as an aroma component and mild conditioning/texture modifier; in household products it serves as a fragrance additive for detergents and cleaners; in coatings, inks, and plastics it may be evaluated as a specialty fragrance additive or processing aid to impart odor and influence material properties; in chemical manufacturing it can be used as an intermediate or building block for more complex fragrance compounds or polymeric materials; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.7
    methanol 12.62
    isopropanol 1.07
    water 0.22
    ethyl acetate 4.94
    n-propanol 3.34
    acetone 5.74
    n-butanol 2.53
    acetonitrile 1.49
    DMF 26.48
    toluene 2.15
    isobutanol 1.63
    1,4-dioxane 13.71
    methyl acetate 4.31
    THF 42.63
    2-butanone 6.63
    n-pentanol 2.51
    sec-butanol 1.65
    n-hexane 0.16
    ethylene glycol 1.43
    NMP 94.02
    cyclohexane 0.27
    DMSO 34.85
    n-butyl acetate 3.54
    n-octanol 4.43
    chloroform 15.84
    n-propyl acetate 4.03
    acetic acid 18.93
    dichloromethane 16.19
    cyclohexanone 21.24
    propylene glycol 2.5
    isopropyl acetate 4.23
    DMAc 67.86
    2-ethoxyethanol 15.67
    isopentanol 1.96
    n-heptane 0.2
    ethyl formate 4.99
    1,2-dichloroethane 6.83
    n-hexanol 1.78
    2-methoxyethanol 21.95
    isobutyl acetate 2.71
    tetrachloromethane 2.02
    n-pentyl acetate 10.95
    transcutol 71.34
    n-heptanol 4.11
    ethylbenzene 1.64
    MIBK 4.0
    2-propoxyethanol 14.78
    tert-butanol 1.19
    MTBE 2.11
    2-butoxyethanol 20.36
    propionic acid 7.53
    o-xylene 2.19
    formic acid 16.26
    diethyl ether 1.99
    m-xylene 1.8
    p-xylene 1.66
    chlorobenzene 3.45
    dimethyl carbonate 7.26
    n-octane 0.15
    formamide 16.57
    cyclopentanone 31.79
    2-pentanone 5.89
    anisole 5.5
    cyclopentyl methyl ether 12.3
    gamma-butyrolactone 42.46
    1-methoxy-2-propanol 15.16
    pyridine 11.77
    3-pentanone 5.61
    furfural 36.88
    n-dodecane 0.11
    diethylene glycol 8.9
    diisopropyl ether 0.68
    tert-amyl alcohol 2.15
    acetylacetone 12.75
    n-hexadecane 0.13
    acetophenone 9.18
    methyl propionate 7.49
    isopentyl acetate 4.0
    trichloroethylene 20.07
    n-nonanol 4.8
    cyclohexanol 3.73
    benzyl alcohol 5.72
    2-ethylhexanol 1.54
    isooctanol 3.24
    dipropyl ether 2.53
    1,2-dichlorobenzene 5.01
    ethyl lactate 6.34
    propylene carbonate 18.4
    n-methylformamide 13.72
    2-pentanol 1.26
    n-pentane 0.11
    1-propoxy-2-propanol 10.33
    1-methoxy-2-propyl acetate 10.43
    2-(2-methoxypropoxy) propanol 18.43
    mesitylene 1.0
    ε-caprolactone 30.33
    p-cymene 1.13
    epichlorohydrin 37.5
    1,1,1-trichloroethane 4.44
    2-aminoethanol 4.31
    morpholine-4-carbaldehyde 63.61
    sulfolane 91.41
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 13.82
    n-hexyl acetate 12.7
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 28.33
    sec-butyl acetate 3.3
    tert-butyl acetate 6.23
    decalin 0.31
    glycerin 8.23
    diglyme 53.59
    acrylic acid 9.41
    isopropyl myristate 2.94
    n-butyric acid 11.29
    acetyl acetate 5.71
    di(2-ethylhexyl) phthalate 5.28
    ethyl propionate 4.58
    nitromethane 26.68
    1,2-diethoxyethane 9.55
    benzonitrile 3.78
    trioctyl phosphate 3.67
    1-bromopropane 2.2
    gamma-valerolactone 80.29
    n-decanol 2.55
    triethyl phosphate 4.44
    4-methyl-2-pentanol 1.05
    propionitrile 1.63
    vinylene carbonate 17.46
    1,1,2-trichlorotrifluoroethane 50.27
    DMS 7.88
    cumene 1.22
    2-octanol 2.31
    2-hexanone 4.63
    octyl acetate 5.23
    limonene 1.72
    1,2-dimethoxyethane 18.46
    ethyl orthosilicate 4.52
    tributyl phosphate 3.85
    diacetone alcohol 10.73
    N,N-dimethylaniline 5.41
    acrylonitrile 3.19
    aniline 3.94
    1,3-propanediol 5.49
    bromobenzene 3.28
    dibromomethane 6.51
    1,1,2,2-tetrachloroethane 18.81
    2-methyl-cyclohexyl acetate 5.84
    tetrabutyl urea 6.42
    diisobutyl methanol 0.91
    2-phenylethanol 4.65
    styrene 1.67
    dioctyl adipate 6.89
    dimethyl sulfate 22.44
    ethyl butyrate 4.02
    methyl lactate 11.65
    butyl lactate 13.81
    diethyl carbonate 2.57
    propanediol butyl ether 18.46
    triethyl orthoformate 5.86
    p-tert-butyltoluene 1.08
    methyl 4-tert-butylbenzoate 19.45
    morpholine 22.82
    tert-butylamine 0.56
    n-dodecanol 1.38
    dimethoxymethane 19.0
    ethylene carbonate 12.91
    cyrene 27.48
    2-ethoxyethyl acetate 21.06
    2-ethylhexyl acetate 3.45
    1,2,4-trichlorobenzene 7.36
    4-methylpyridine 8.38
    dibutyl ether 3.59
    2,6-dimethyl-4-heptanol 0.91
    DEF 13.39
    dimethyl isosorbide 36.07
    tetrachloroethylene 12.71
    eugenol 17.46
    triacetin 22.19
    span 80 17.36
    1,4-butanediol 2.46
    1,1-dichloroethane 3.19
    2-methyl-1-pentanol 2.51
    methyl formate 9.92
    2-methyl-1-butanol 2.51
    n-decane 0.3
    butyronitrile 1.67
    3,7-dimethyl-1-octanol 2.85
    1-chlorooctane 1.96
    1-chlorotetradecane 0.49
    n-nonane 0.24
    undecane 0.17
    tert-butylcyclohexane 0.21
    cyclooctane 0.18
    cyclopentanol 5.26
    tetrahydropyran 8.74
    tert-amyl methyl ether 3.27
    2,5,8-trioxanonane 31.54
    1-hexene 0.58
    2-isopropoxyethanol 8.89
    2,2,2-trifluoroethanol 11.45
    methyl butyrate 6.71

    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