Cavipetin A

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  • Identifiers

    CAS number
    128530-02-9

    Molecular formula
    C30H42O8

    SMILES
    C/C(=C\CC/C(=C/COC(=O)/C(=C/C(=O)O)/C)/C)/CC/C=C(\C)/CC/C=C(\C)/COC(=O)/C(=C/C(=O)O)/C

    Safety labels

  • Odor profile

    Fragrance
    Floral 58.73%
    Sweet 49.5%
    Woody 40.96%
    Green 40.23%
    Rose 40.15%
    Fruity 38.42%
    Herbal 34.76%
    Fresh 34.36%
    Citrus 33.43%
    Balsamic 31.92%

     

    Flavor
    Woody 29.21%
    Herbal 27.55%
    Green 27.02%
    Fruity 26.14%
    Genet 21.23%
    Heather 21.2%
    Broom 21.04%
    Spicy 20.97%
    Dry 20.88%
    Sweet 20.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    5.91 (weak acid)

    Molecular weight
    530.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    549°C

    Melting point expt.

    • 137 - 138 °C

    Flash point

    • 276.55 ˚C est.

  • Synonyms

    • Cavipetin A
    • SCHEMBL30892360
    • CHEBI:183546
    • DTXSID001102914
    • 128530-02-9
    • (E)-4-[(2E,6E,10E,14E)-16-[(E)-3-carboxy-2-methylprop-2-enoyl]oxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-3-methyl-4-oxobut-2-enoic acid
    • 2-Butenedioic acid, 2-methyl-, 1,1a(2)-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl] ester, (2E,2a(2)E)-
    • 128530-02-9

  • Applications

    Cavipetin A (CAS 128530-02-9) is an industrial chemical considered for multiple applications, including as an intermediate in organic synthesis; as a solvent or co-solvent in process chemistry and industrial formulations; as a plasticizer or processing aid in specialty polymer systems; and may function as a stabilizer or chelating agent in coatings, inks, and cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.33
    methanol 7.34
    isopropanol 2.72
    water 0.01
    ethyl acetate 5.31
    n-propanol 5.47
    acetone 7.53
    n-butanol 4.18
    acetonitrile 1.43
    DMF 27.55
    toluene 1.78
    isobutanol 2.36
    1,4-dioxane 15.72
    methyl acetate 6.28
    THF 52.61
    2-butanone 13.04
    n-pentanol 5.63
    sec-butanol 5.12
    n-hexane 0.28
    ethylene glycol 0.25
    NMP 35.52
    cyclohexane 0.21
    DMSO 22.2
    n-butyl acetate 2.29
    n-octanol 1.94
    chloroform 15.39
    n-propyl acetate 4.27
    acetic acid 6.36
    dichloromethane 13.1
    cyclohexanone 10.81
    propylene glycol 0.93
    isopropyl acetate 3.37
    DMAc 74.8
    2-ethoxyethanol 18.73
    isopentanol 2.63
    n-heptane 0.13
    ethyl formate 2.83
    1,2-dichloroethane 6.2
    n-hexanol 1.88
    2-methoxyethanol 14.46
    isobutyl acetate 1.96
    tetrachloromethane 1.19
    n-pentyl acetate 3.41
    transcutol 33.19
    n-heptanol 1.85
    ethylbenzene 1.79
    MIBK 3.04
    2-propoxyethanol 10.15
    tert-butanol 2.86
    MTBE 6.69
    2-butoxyethanol 8.2
    propionic acid 3.13
    o-xylene 1.48
    formic acid 2.44
    diethyl ether 5.9
    m-xylene 0.95
    p-xylene 1.9
    chlorobenzene 1.65
    dimethyl carbonate 2.76
    n-octane 0.1
    formamide 4.73
    cyclopentanone 16.24
    2-pentanone 6.99
    anisole 6.74
    cyclopentyl methyl ether 7.38
    gamma-butyrolactone 14.09
    1-methoxy-2-propanol 11.72
    pyridine 10.5
    3-pentanone 6.21
    furfural 9.39
    n-dodecane 0.06
    diethylene glycol 2.83
    diisopropyl ether 0.81
    tert-amyl alcohol 6.09
    acetylacetone 6.64
    n-hexadecane 0.07
    acetophenone 6.05
    methyl propionate 5.97
    isopentyl acetate 2.21
    trichloroethylene 15.13
    n-nonanol 2.12
    cyclohexanol 2.44
    benzyl alcohol 4.42
    2-ethylhexanol 1.11
    isooctanol 1.48
    dipropyl ether 2.55
    1,2-dichlorobenzene 1.89
    ethyl lactate 2.41
    propylene carbonate 3.9
    n-methylformamide 7.27
    2-pentanol 2.4
    n-pentane 0.17
    1-propoxy-2-propanol 5.93
    1-methoxy-2-propyl acetate 4.31
    2-(2-methoxypropoxy) propanol 9.32
    mesitylene 0.48
    ε-caprolactone 11.87
    p-cymene 0.49
    epichlorohydrin 23.91
    1,1,1-trichloroethane 3.79
    2-aminoethanol 1.46
    morpholine-4-carbaldehyde 29.33
    sulfolane 19.77
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 18.71
    n-hexyl acetate 4.28
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 12.09
    sec-butyl acetate 3.27
    tert-butyl acetate 4.31
    decalin 0.2
    glycerin 1.53
    diglyme 27.29
    acrylic acid 2.44
    isopropyl myristate 1.14
    n-butyric acid 5.01
    acetyl acetate 2.21
    di(2-ethylhexyl) phthalate 1.55
    ethyl propionate 4.36
    nitromethane 12.34
    1,2-diethoxyethane 8.82
    benzonitrile 1.54
    trioctyl phosphate 0.82
    1-bromopropane 4.19
    gamma-valerolactone 32.17
    n-decanol 1.24
    triethyl phosphate 1.71
    4-methyl-2-pentanol 1.15
    propionitrile 1.92
    vinylene carbonate 3.53
    1,1,2-trichlorotrifluoroethane 11.63
    DMS 2.58
    cumene 1.07
    2-octanol 1.31
    2-hexanone 7.43
    octyl acetate 1.86
    limonene 0.74
    1,2-dimethoxyethane 34.06
    ethyl orthosilicate 2.2
    tributyl phosphate 1.05
    diacetone alcohol 5.69
    N,N-dimethylaniline 5.99
    acrylonitrile 2.1
    aniline 2.57
    1,3-propanediol 2.78
    bromobenzene 1.66
    dibromomethane 6.26
    1,1,2,2-tetrachloroethane 14.36
    2-methyl-cyclohexyl acetate 2.9
    tetrabutyl urea 2.55
    diisobutyl methanol 0.53
    2-phenylethanol 2.71
    styrene 1.89
    dioctyl adipate 2.53
    dimethyl sulfate 5.44
    ethyl butyrate 2.71
    methyl lactate 2.8
    butyl lactate 2.66
    diethyl carbonate 1.32
    propanediol butyl ether 4.77
    triethyl orthoformate 3.16
    p-tert-butyltoluene 0.49
    methyl 4-tert-butylbenzoate 5.24
    morpholine 27.25
    tert-butylamine 1.32
    n-dodecanol 0.71
    dimethoxymethane 17.15
    ethylene carbonate 2.69
    cyrene 10.49
    2-ethoxyethyl acetate 6.68
    2-ethylhexyl acetate 1.91
    1,2,4-trichlorobenzene 2.9
    4-methylpyridine 7.92
    dibutyl ether 2.75
    2,6-dimethyl-4-heptanol 0.53
    DEF 12.77
    dimethyl isosorbide 14.42
    tetrachloroethylene 6.86
    eugenol 5.21
    triacetin 4.77
    span 80 5.21
    1,4-butanediol 1.47
    1,1-dichloroethane 4.66
    2-methyl-1-pentanol 4.87
    methyl formate 4.35
    2-methyl-1-butanol 3.53
    n-decane 0.15
    butyronitrile 2.08
    3,7-dimethyl-1-octanol 1.36
    1-chlorooctane 0.88
    1-chlorotetradecane 0.24
    n-nonane 0.13
    undecane 0.09
    tert-butylcyclohexane 0.18
    cyclooctane 0.08
    cyclopentanol 3.33
    tetrahydropyran 13.54
    tert-amyl methyl ether 7.6
    2,5,8-trioxanonane 17.02
    1-hexene 1.57
    2-isopropoxyethanol 10.01
    2,2,2-trifluoroethanol 1.6
    methyl butyrate 6.18

    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