rel-5-Methyl-3-[12-[(2R,3S)-3-[2-[(2S,3R)-3-[(3Z)-3-tetradecen-1-yl]-2-oxiranyl]ethyl]-2-oxiranyl]dodecyl]-2(5H)-furanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    160544-67-2

    Molecular formula
    C37H64O4

    SMILES
    CCCCCCCCCCC=CCCC1C(O1)CCC2C(O2)CCCCCCCCCCCCC3=CC(OC3=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 45.7%
    Waxy 44.47%
    Oily 39.19%
    Fruity 27.3%
    Odorless 26.11%
    Meaty 21.87%
    Savory 21.69%
    Milky 21.49%
    Fresh 20.55%
    Woody 19.6%

     

    Flavor
    Waxy 32.19%
    Bland 26.58%
    Fatty 25.6%
    Mild 23.99%
    Slightly waxy 21.42%
    Faint 21.36%
    Oily 20.55%
    Delicate 20.46%
    Diterpene 20.0%
    Low 19.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.2

    pKa est.
    8.21 (weak base)

    Molecular weight
    572.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    764°C

    Flash point

    • 231.06 ˚C est.

  • Synonyms

    • DTXSID201104916
    • 160544-67-2
    • rel-5-Methyl-3-[12-[(2R,3S)-3-[2-[(2S,3R)-3-[(3Z)-3-tetradecen-1-yl]-2-oxiranyl]ethyl]-2-oxiranyl]dodecyl]-2(5H)-furanone
    • 160544-67-2

  • Applications

    rel-5-Methyl-3-[12-[(2R,3S)-3-[2-[(2S,3R)-3-[(3Z)-3-tetradecen-1-yl]-2-oxiranyl]ethyl]-2-oxiranyl]dodecyl]-2(5H)-furanone (CAS 160544-67-2) is a lactone-based fragrance ingredient used in perfumery and related cosmetic applications. In practice it serves as an aroma compound and may function as a fixative or scent carrier to enhance longevity of fragrances. It is commonly evaluated for use in cosmetics/personal care formulations and in household products (air fresheners, cleaners) to impart a distinctive fragrance. In industrial contexts it may be used as an intermediate in fragrance synthesis or as an odorant additive in coatings and inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.17
    methanol 3.17
    isopropanol 3.62
    water 0.02
    ethyl acetate 45.69
    n-propanol 6.43
    acetone 20.43
    n-butanol 8.06
    acetonitrile 8.76
    DMF 15.82
    toluene 26.43
    isobutanol 5.52
    1,4-dioxane 40.26
    methyl acetate 25.41
    THF 100.57
    2-butanone 39.39
    n-pentanol 8.94
    sec-butanol 7.53
    n-hexane 3.6
    ethylene glycol 0.4
    NMP 83.61
    cyclohexane 9.91
    DMSO 22.32
    n-butyl acetate 41.14
    n-octanol 9.66
    chloroform 254.1
    n-propyl acetate 42.18
    acetic acid 15.56
    dichloromethane 244.91
    cyclohexanone 107.75
    propylene glycol 1.08
    isopropyl acetate 42.93
    DMAc 74.71
    2-ethoxyethanol 18.24
    isopentanol 10.0
    n-heptane 3.63
    ethyl formate 14.92
    1,2-dichloroethane 97.8
    n-hexanol 7.61
    2-methoxyethanol 13.16
    isobutyl acetate 30.47
    tetrachloromethane 35.19
    n-pentyl acetate 60.48
    transcutol 100.19
    n-heptanol 9.93
    ethylbenzene 20.63
    MIBK 33.56
    2-propoxyethanol 21.34
    tert-butanol 5.8
    MTBE 21.24
    2-butoxyethanol 31.46
    propionic acid 12.26
    o-xylene 20.72
    formic acid 3.57
    diethyl ether 22.01
    m-xylene 18.2
    p-xylene 24.23
    chlorobenzene 51.84
    dimethyl carbonate 14.67
    n-octane 1.94
    formamide 6.44
    cyclopentanone 97.45
    2-pentanone 39.42
    anisole 39.07
    cyclopentyl methyl ether 56.13
    gamma-butyrolactone 96.31
    1-methoxy-2-propanol 14.88
    pyridine 64.96
    3-pentanone 41.49
    furfural 67.54
    n-dodecane 1.36
    diethylene glycol 6.28
    diisopropyl ether 11.13
    tert-amyl alcohol 10.82
    acetylacetone 57.41
    n-hexadecane 1.67
    acetophenone 50.13
    methyl propionate 31.79
    isopentyl acetate 46.74
    trichloroethylene 213.51
    n-nonanol 12.05
    cyclohexanol 17.89
    benzyl alcohol 18.41
    2-ethylhexanol 11.36
    isooctanol 10.96
    dipropyl ether 26.25
    1,2-dichlorobenzene 65.85
    ethyl lactate 17.03
    propylene carbonate 57.56
    n-methylformamide 8.39
    2-pentanol 7.56
    n-pentane 2.53
    1-propoxy-2-propanol 23.96
    1-methoxy-2-propyl acetate 52.12
    2-(2-methoxypropoxy) propanol 37.95
    mesitylene 11.82
    ε-caprolactone 122.29
    p-cymene 14.42
    epichlorohydrin 128.93
    1,1,1-trichloroethane 117.72
    2-aminoethanol 1.81
    morpholine-4-carbaldehyde 55.28
    sulfolane 121.15
    2,2,4-trimethylpentane 3.24
    2-methyltetrahydrofuran 86.73
    n-hexyl acetate 54.66
    isooctane 1.6
    2-(2-butoxyethoxy)ethanol 42.0
    sec-butyl acetate 43.38
    tert-butyl acetate 50.34
    decalin 6.84
    glycerin 2.36
    diglyme 108.11
    acrylic acid 10.02
    isopropyl myristate 20.91
    n-butyric acid 31.67
    acetyl acetate 41.52
    di(2-ethylhexyl) phthalate 19.83
    ethyl propionate 45.55
    nitromethane 33.57
    1,2-diethoxyethane 49.81
    benzonitrile 23.36
    trioctyl phosphate 12.46
    1-bromopropane 57.44
    gamma-valerolactone 133.12
    n-decanol 7.42
    triethyl phosphate 32.86
    4-methyl-2-pentanol 7.19
    propionitrile 11.04
    vinylene carbonate 45.53
    1,1,2-trichlorotrifluoroethane 83.58
    DMS 29.92
    cumene 14.94
    2-octanol 8.42
    2-hexanone 41.03
    octyl acetate 23.86
    limonene 22.03
    1,2-dimethoxyethane 44.27
    ethyl orthosilicate 34.74
    tributyl phosphate 18.09
    diacetone alcohol 31.86
    N,N-dimethylaniline 27.31
    acrylonitrile 11.52
    aniline 20.91
    1,3-propanediol 4.59
    bromobenzene 70.22
    dibromomethane 126.24
    1,1,2,2-tetrachloroethane 180.92
    2-methyl-cyclohexyl acetate 50.58
    tetrabutyl urea 25.25
    diisobutyl methanol 9.29
    2-phenylethanol 19.33
    styrene 22.2
    dioctyl adipate 36.21
    dimethyl sulfate 34.2
    ethyl butyrate 51.78
    methyl lactate 12.52
    butyl lactate 32.6
    diethyl carbonate 32.35
    propanediol butyl ether 14.8
    triethyl orthoformate 47.71
    p-tert-butyltoluene 11.97
    methyl 4-tert-butylbenzoate 57.12
    morpholine 49.26
    tert-butylamine 4.63
    n-dodecanol 5.08
    dimethoxymethane 21.3
    ethylene carbonate 42.24
    cyrene 43.72
    2-ethoxyethyl acetate 78.01
    2-ethylhexyl acetate 43.74
    1,2,4-trichlorobenzene 83.87
    4-methylpyridine 54.6
    dibutyl ether 28.33
    2,6-dimethyl-4-heptanol 9.29
    DEF 46.04
    dimethyl isosorbide 91.02
    tetrachloroethylene 100.52
    eugenol 37.96
    triacetin 74.57
    span 80 29.97
    1,4-butanediol 2.3
    1,1-dichloroethane 78.4
    2-methyl-1-pentanol 13.04
    methyl formate 7.41
    2-methyl-1-butanol 10.4
    n-decane 3.22
    butyronitrile 13.39
    3,7-dimethyl-1-octanol 12.35
    1-chlorooctane 14.83
    1-chlorotetradecane 4.82
    n-nonane 2.66
    undecane 1.96
    tert-butylcyclohexane 4.41
    cyclooctane 3.98
    cyclopentanol 15.67
    tetrahydropyran 63.05
    tert-amyl methyl ether 26.63
    2,5,8-trioxanonane 63.71
    1-hexene 11.09
    2-isopropoxyethanol 17.94
    2,2,2-trifluoroethanol 11.32
    methyl butyrate 50.9

    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