Corepoxylone

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  • Identifiers

    CAS number
    154272-51-2

    Molecular formula
    C35H60O5

    SMILES
    CCCCCCCCCCCCC1C(O1)CCC2C(O2)CCCCC(=O)CCCCCCCC3=CC(OC3=O)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 33.18%
    Oily 31.86%
    Fatty 31.76%
    Odorless 31.12%
    Savory 24.38%
    Woody 23.55%
    Lactonic 23.42%
    Milky 23.32%
    Peach 23.19%
    Fresh 22.86%

     

    Flavor
    Waxy 30.47%
    Fatty 28.55%
    Bland 27.94%
    Oily 27.57%
    Mild 25.96%
    Herbal 25.18%
    Slightly waxy 21.47%
    Cedarleaf 20.83%
    Odorless 20.79%
    Delicate 20.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.4

    pKa est.
    8.25 (weak base)

    Molecular weight
    560.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    862°C

    Flash point

    • 229.04 ˚C est.

  • Synonyms

    • Corepoxylone
    • DTXSID201126976
    • 2(5H)-Furanone, 3-[12-[3-[2-(3-dodecyloxiranyl)ethyl]oxiranyl]-8-oxododecyl]-5-methyl-
    • 1,2:5,6-Dianhydro-3,4-dideoxy-1-dodecyl-6-[12-(5-methyl-2-oxo-2,5-dihydrofuran-3-yl)-5-oxododecyl]hexitol
    • 154272-51-2
    • 154272-51-2

  • Applications

    Corepoxylone (CAS 154272-51-2) may serve as an intermediate in organic synthesis; may be used as a solvent or co-solvent in industrial formulations; may function as a plasticizer or processing aid in polymers and coatings; may provide stabilization (stabilizer/antioxidant) in polymer systems; may act as a surfactant or chelating/complexing additive in specialty cleaning or formulation applications, depending on system requirements and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.77
    methanol 3.3
    isopropanol 3.02
    water 0.01
    ethyl acetate 28.66
    n-propanol 5.34
    acetone 17.85
    n-butanol 6.24
    acetonitrile 8.39
    DMF 14.96
    toluene 14.45
    isobutanol 4.27
    1,4-dioxane 29.9
    methyl acetate 19.44
    THF 75.5
    2-butanone 30.48
    n-pentanol 7.23
    sec-butanol 5.64
    n-hexane 1.38
    ethylene glycol 0.43
    NMP 76.22
    cyclohexane 3.51
    DMSO 21.37
    n-butyl acetate 25.86
    n-octanol 7.0
    chloroform 175.38
    n-propyl acetate 27.86
    acetic acid 15.67
    dichloromethane 172.55
    cyclohexanone 79.17
    propylene glycol 1.11
    isopropyl acetate 25.72
    DMAc 66.54
    2-ethoxyethanol 17.56
    isopentanol 7.12
    n-heptane 1.26
    ethyl formate 12.65
    1,2-dichloroethane 66.93
    n-hexanol 5.73
    2-methoxyethanol 12.54
    isobutyl acetate 19.33
    tetrachloromethane 19.75
    n-pentyl acetate 40.02
    transcutol 90.16
    n-heptanol 6.96
    ethylbenzene 11.54
    MIBK 21.92
    2-propoxyethanol 18.9
    tert-butanol 4.32
    MTBE 12.17
    2-butoxyethanol 26.77
    propionic acid 10.69
    o-xylene 11.27
    formic acid 4.22
    diethyl ether 12.46
    m-xylene 9.47
    p-xylene 14.14
    chlorobenzene 36.17
    dimethyl carbonate 10.41
    n-octane 0.76
    formamide 7.29
    cyclopentanone 75.71
    2-pentanone 26.63
    anisole 25.95
    cyclopentyl methyl ether 32.12
    gamma-butyrolactone 78.04
    1-methoxy-2-propanol 13.14
    pyridine 51.77
    3-pentanone 26.74
    furfural 62.53
    n-dodecane 0.63
    diethylene glycol 6.44
    diisopropyl ether 5.19
    tert-amyl alcohol 7.41
    acetylacetone 41.39
    n-hexadecane 0.76
    acetophenone 37.13
    methyl propionate 21.65
    isopentyl acetate 29.58
    trichloroethylene 158.87
    n-nonanol 8.46
    cyclohexanol 11.72
    benzyl alcohol 15.75
    2-ethylhexanol 7.2
    isooctanol 7.26
    dipropyl ether 13.16
    1,2-dichlorobenzene 44.56
    ethyl lactate 13.8
    propylene carbonate 45.4
    n-methylformamide 8.68
    2-pentanol 4.93
    n-pentane 0.96
    1-propoxy-2-propanol 18.66
    1-methoxy-2-propyl acetate 36.27
    2-(2-methoxypropoxy) propanol 32.63
    mesitylene 5.8
    ε-caprolactone 88.66
    p-cymene 7.64
    epichlorohydrin 102.17
    1,1,1-trichloroethane 70.98
    2-aminoethanol 1.86
    morpholine-4-carbaldehyde 51.99
    sulfolane 97.78
    2,2,4-trimethylpentane 1.25
    2-methyltetrahydrofuran 53.89
    n-hexyl acetate 37.51
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 36.62
    sec-butyl acetate 25.48
    tert-butyl acetate 29.36
    decalin 2.7
    glycerin 2.52
    diglyme 88.91
    acrylic acid 9.59
    isopropyl myristate 13.04
    n-butyric acid 24.53
    acetyl acetate 27.2
    di(2-ethylhexyl) phthalate 15.18
    ethyl propionate 27.88
    nitromethane 34.68
    1,2-diethoxyethane 32.11
    benzonitrile 19.93
    trioctyl phosphate 8.79
    1-bromopropane 31.87
    gamma-valerolactone 119.88
    n-decanol 5.15
    triethyl phosphate 20.59
    4-methyl-2-pentanol 4.56
    propionitrile 9.28
    vinylene carbonate 38.76
    1,1,2-trichlorotrifluoroethane 72.73
    DMS 20.9
    cumene 8.22
    2-octanol 5.49
    2-hexanone 28.91
    octyl acetate 15.97
    limonene 11.22
    1,2-dimethoxyethane 36.97
    ethyl orthosilicate 20.87
    tributyl phosphate 12.99
    diacetone alcohol 23.98
    N,N-dimethylaniline 17.8
    acrylonitrile 10.8
    aniline 14.88
    1,3-propanediol 4.23
    bromobenzene 43.81
    dibromomethane 82.39
    1,1,2,2-tetrachloroethane 130.55
    2-methyl-cyclohexyl acetate 31.93
    tetrabutyl urea 18.69
    diisobutyl methanol 5.19
    2-phenylethanol 15.16
    styrene 13.06
    dioctyl adipate 25.1
    dimethyl sulfate 26.34
    ethyl butyrate 30.71
    methyl lactate 10.69
    butyl lactate 26.1
    diethyl carbonate 20.11
    propanediol butyl ether 13.94
    triethyl orthoformate 28.92
    p-tert-butyltoluene 6.37
    methyl 4-tert-butylbenzoate 42.41
    morpholine 39.35
    tert-butylamine 3.02
    n-dodecanol 3.43
    dimethoxymethane 16.97
    ethylene carbonate 33.26
    cyrene 40.31
    2-ethoxyethyl acetate 55.97
    2-ethylhexyl acetate 25.87
    1,2,4-trichlorobenzene 57.55
    4-methylpyridine 42.51
    dibutyl ether 15.77
    2,6-dimethyl-4-heptanol 5.19
    DEF 33.07
    dimethyl isosorbide 70.14
    tetrachloroethylene 71.32
    eugenol 31.86
    triacetin 56.24
    span 80 24.57
    1,4-butanediol 2.29
    1,1-dichloroethane 51.71
    2-methyl-1-pentanol 9.54
    methyl formate 7.25
    2-methyl-1-butanol 7.49
    n-decane 1.43
    butyronitrile 10.67
    3,7-dimethyl-1-octanol 8.08
    1-chlorooctane 8.3
    1-chlorotetradecane 2.57
    n-nonane 1.14
    undecane 0.89
    tert-butylcyclohexane 1.77
    cyclooctane 1.29
    cyclopentanol 11.51
    tetrahydropyran 39.77
    tert-amyl methyl ether 14.41
    2,5,8-trioxanonane 53.31
    1-hexene 5.66
    2-isopropoxyethanol 15.52
    2,2,2-trifluoroethanol 11.54
    methyl butyrate 34.79

    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