Cavipetin B

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  • Identifiers

    CAS number
    128530-03-0

    Molecular formula
    C28H38O8

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 42.57%
    Green 41.6%
    Floral 38.67%
    Balsamic 34.25%
    Fruity 32.2%
    Herbal 31.02%
    Citrus 29.17%
    Woody 29.07%
    Waxy 28.4%
    Fresh 28.24%

     

    Flavor
    Green 27.85%
    Fruity 26.44%
    Fatty 22.72%
    Odorless 22.31%
    Woody 21.62%
    Sweet 21.17%
    Heather 20.9%
    Broom 20.71%
    Genet 20.63%
    Herbal 20.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    6.29 (neutral)

    Molecular weight
    502.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    554°C

    Melting point expt.

    • 86 - 87 °C

    Flash point

    • 287.06 ˚C est.

  • Synonyms

    • cavipetin B
    • (E)-4-[(2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-4-oxobut-2-enoic acid
    • (2E)-4-{[(2E,6E,10E,14E)-16-{[(2E)-3-carboxyprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}-4-oxobut-2-enoic acid
    • (2E)-4-(((2E,6E,10E,14E)-16-(((2E)-3-carboxyprop-2-enoyl)oxy)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy)-4-oxobut-2-enoic acid
    • (E)-4-((2E,6E,10E,14E)-16-((E)-3-carboxyprop-2-enoyl)oxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)-4-oxobut-2-enoic acid
    • RefChem:918141
    • 128530-03-0
    • CHEMBL469857
    • CHEBI:176186
    • DTXSID501110326
    • 2-Butenedioic acid (2E)-, (2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl ester
    • 128530-03-0

  • Applications

    Cavipetin B (CAS 128530-03-0) is used as a processing aid and chemical intermediate in various industrial syntheses; practical applications may include serving as a solvent or co-solvent in organic reactions, acting as an intermediate in the manufacture of pharmaceuticals and agrochemicals, functioning as a processing additive in plastics and coatings (including roles as a stabilizer or plasticizer), and being evaluated for use in cleaning formulations and specialty chemical blends. Applications are formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.2
    methanol 5.22
    isopropanol 1.59
    water 0.01
    ethyl acetate 2.39
    n-propanol 2.87
    acetone 4.93
    n-butanol 2.04
    acetonitrile 1.0
    DMF 18.14
    toluene 0.71
    isobutanol 1.1
    1,4-dioxane 8.77
    methyl acetate 3.37
    THF 29.35
    2-butanone 7.37
    n-pentanol 2.56
    sec-butanol 2.38
    n-hexane 0.11
    ethylene glycol 0.25
    NMP 16.65
    cyclohexane 0.1
    DMSO 22.54
    n-butyl acetate 0.95
    n-octanol 0.97
    chloroform 6.55
    n-propyl acetate 2.1
    acetic acid 4.24
    dichloromethane 6.17
    cyclohexanone 5.44
    propylene glycol 0.83
    isopropyl acetate 1.51
    DMAc 44.97
    2-ethoxyethanol 11.9
    isopentanol 1.21
    n-heptane 0.06
    ethyl formate 1.79
    1,2-dichloroethane 3.08
    n-hexanol 0.73
    2-methoxyethanol 10.88
    isobutyl acetate 0.86
    tetrachloromethane 0.52
    n-pentyl acetate 1.37
    transcutol 22.95
    n-heptanol 0.74
    ethylbenzene 0.74
    MIBK 1.36
    2-propoxyethanol 5.52
    tert-butanol 1.61
    MTBE 2.62
    2-butoxyethanol 4.16
    propionic acid 1.97
    o-xylene 0.58
    formic acid 2.04
    diethyl ether 2.32
    m-xylene 0.37
    p-xylene 0.8
    chlorobenzene 0.68
    dimethyl carbonate 1.53
    n-octane 0.04
    formamide 4.01
    cyclopentanone 8.58
    2-pentanone 3.17
    anisole 3.36
    cyclopentyl methyl ether 3.01
    gamma-butyrolactone 7.29
    1-methoxy-2-propanol 7.83
    pyridine 5.61
    3-pentanone 2.96
    furfural 5.61
    n-dodecane 0.03
    diethylene glycol 2.03
    diisopropyl ether 0.31
    tert-amyl alcohol 2.75
    acetylacetone 3.5
    n-hexadecane 0.03
    acetophenone 3.24
    methyl propionate 2.88
    isopentyl acetate 0.89
    trichloroethylene 6.69
    n-nonanol 1.04
    cyclohexanol 1.15
    benzyl alcohol 2.32
    2-ethylhexanol 0.43
    isooctanol 0.6
    dipropyl ether 1.21
    1,2-dichlorobenzene 0.81
    ethyl lactate 1.41
    propylene carbonate 1.97
    n-methylformamide 5.17
    2-pentanol 1.03
    n-pentane 0.07
    1-propoxy-2-propanol 3.25
    1-methoxy-2-propyl acetate 2.17
    2-(2-methoxypropoxy) propanol 5.91
    mesitylene 0.2
    ε-caprolactone 5.54
    p-cymene 0.22
    epichlorohydrin 12.32
    1,1,1-trichloroethane 1.64
    2-aminoethanol 1.18
    morpholine-4-carbaldehyde 15.83
    sulfolane 10.99
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 7.77
    n-hexyl acetate 1.85
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 7.78
    sec-butyl acetate 1.43
    tert-butyl acetate 1.97
    decalin 0.08
    glycerin 1.36
    diglyme 18.68
    acrylic acid 1.58
    isopropyl myristate 0.57
    n-butyric acid 2.64
    acetyl acetate 1.12
    di(2-ethylhexyl) phthalate 0.77
    ethyl propionate 2.09
    nitromethane 8.41
    1,2-diethoxyethane 4.67
    benzonitrile 0.81
    trioctyl phosphate 0.4
    1-bromopropane 1.66
    gamma-valerolactone 17.74
    n-decanol 0.64
    triethyl phosphate 0.93
    4-methyl-2-pentanol 0.46
    propionitrile 1.11
    vinylene carbonate 1.85
    1,1,2-trichlorotrifluoroethane 7.21
    DMS 1.26
    cumene 0.44
    2-octanol 0.56
    2-hexanone 3.59
    octyl acetate 0.91
    limonene 0.29
    1,2-dimethoxyethane 22.71
    ethyl orthosilicate 1.17
    tributyl phosphate 0.56
    diacetone alcohol 3.26
    N,N-dimethylaniline 3.04
    acrylonitrile 1.31
    aniline 1.31
    1,3-propanediol 2.04
    bromobenzene 0.65
    dibromomethane 2.86
    1,1,2,2-tetrachloroethane 7.04
    2-methyl-cyclohexyl acetate 1.33
    tetrabutyl urea 1.56
    diisobutyl methanol 0.24
    2-phenylethanol 1.21
    styrene 0.81
    dioctyl adipate 1.46
    dimethyl sulfate 3.41
    ethyl butyrate 1.3
    methyl lactate 1.84
    butyl lactate 1.41
    diethyl carbonate 0.71
    propanediol butyl ether 2.97
    triethyl orthoformate 1.69
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 2.79
    morpholine 15.11
    tert-butylamine 0.64
    n-dodecanol 0.38
    dimethoxymethane 10.33
    ethylene carbonate 1.4
    cyrene 5.89
    2-ethoxyethyl acetate 3.01
    2-ethylhexyl acetate 0.74
    1,2,4-trichlorobenzene 1.33
    4-methylpyridine 3.68
    dibutyl ether 1.47
    2,6-dimethyl-4-heptanol 0.24
    DEF 6.04
    dimethyl isosorbide 8.67
    tetrachloroethylene 3.13
    eugenol 2.9
    triacetin 2.57
    span 80 2.93
    1,4-butanediol 1.05
    1,1-dichloroethane 1.9
    2-methyl-1-pentanol 2.01
    methyl formate 3.18
    2-methyl-1-butanol 1.54
    n-decane 0.07
    butyronitrile 1.1
    3,7-dimethyl-1-octanol 0.71
    1-chlorooctane 0.4
    1-chlorotetradecane 0.13
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.07
    cyclooctane 0.04
    cyclopentanol 1.77
    tetrahydropyran 6.19
    tert-amyl methyl ether 2.92
    2,5,8-trioxanonane 12.78
    1-hexene 0.61
    2-isopropoxyethanol 5.67
    2,2,2-trifluoroethanol 1.07
    methyl butyrate 3.13

    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