Proglobeflowery acid

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  • Identifiers

    CAS number
    146367-85-3

    Molecular formula
    C13H16O4

    SMILES
    CC(=CCC1=C(C(=CC(=C1)C(=O)O)OC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 55.99%
    Spicy 54.43%
    Floral 49.29%
    Woody 44.68%
    Balsamic 42.63%
    Phenolic 41.45%
    Vanilla 34.51%
    Clove 34.38%
    Dry 33.98%
    Fruity 33.84%

     

    Flavor
    Woody 45.46%
    Sweet 41.77%
    Spicy 38.01%
    Bitter 32.98%
    Clove 29.28%
    Phenolic 29.25%
    Spice 27.64%
    Powdery 26.45%
    Mild 25.46%
    Herbal 25.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.47 (weak base)

    Molecular weight
    236.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    389°C

    Flash point

    • 176.87 ˚C est.

  • Synonyms

    • Proglobeflowery acid
    • 146367-85-3
    • 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid
    • 3-Methoxy-4-hydroxy-5-(3'-methyl-2')butylenylbenzoic acid
    • DTXSID00163361
    • Benzoic acid, 4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)-
    • RefChem:176174
    • DTXCID2085852
    • 4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid
    • CHEBI:84442
    • 146367-85-3

  • Applications

    Proglobeflowery acid may be used as an intermediate in organic synthesis and sometimes as a solvent or co-solvent in industrial formulations; it can serve as a stabilizer or processing aid in plastics and coating systems; it may act as a chelating agent in metal finishing, electronics-related processes, and related cleaners; it is considered as an additive in coatings and inks to adjust rheology and performance; and it may appear as an acidic component in certain cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 364.86
    methanol 415.86
    isopropanol 196.33
    water 0.21
    ethyl acetate 216.43
    n-propanol 268.29
    acetone 159.77
    n-butanol 169.26
    acetonitrile 86.88
    DMF 1170.2
    toluene 10.84
    isobutanol 132.01
    1,4-dioxane 129.95
    methyl acetate 224.85
    THF 348.72
    2-butanone 243.13
    n-pentanol 91.08
    sec-butanol 189.65
    n-hexane 0.42
    ethylene glycol 119.76
    NMP 457.19
    cyclohexane 0.52
    DMSO 565.39
    n-butyl acetate 78.29
    n-octanol 26.62
    chloroform 42.16
    n-propyl acetate 81.73
    acetic acid 205.38
    dichloromethane 50.57
    cyclohexanone 153.94
    propylene glycol 239.17
    isopropyl acetate 106.45
    DMAc 889.56
    2-ethoxyethanol 320.24
    isopentanol 130.51
    n-heptane 0.57
    ethyl formate 74.28
    1,2-dichloroethane 54.98
    n-hexanol 79.46
    2-methoxyethanol 747.07
    isobutyl acetate 41.94
    tetrachloromethane 5.07
    n-pentyl acetate 40.04
    transcutol 369.76
    n-heptanol 38.45
    ethylbenzene 11.83
    MIBK 91.65
    2-propoxyethanol 239.03
    tert-butanol 319.33
    MTBE 123.38
    2-butoxyethanol 107.73
    propionic acid 167.22
    o-xylene 13.26
    formic acid 165.88
    diethyl ether 53.72
    m-xylene 15.19
    p-xylene 14.6
    chlorobenzene 18.02
    dimethyl carbonate 116.51
    n-octane 0.56
    formamide 503.63
    cyclopentanone 331.44
    2-pentanone 169.85
    anisole 60.97
    cyclopentyl methyl ether 104.91
    gamma-butyrolactone 384.3
    1-methoxy-2-propanol 533.21
    pyridine 83.5
    3-pentanone 95.82
    furfural 198.67
    n-dodecane 0.7
    diethylene glycol 239.26
    diisopropyl ether 14.79
    tert-amyl alcohol 287.5
    acetylacetone 181.51
    n-hexadecane 0.78
    acetophenone 74.87
    methyl propionate 255.05
    isopentyl acetate 78.39
    trichloroethylene 126.54
    n-nonanol 26.07
    cyclohexanol 69.48
    benzyl alcohol 77.93
    2-ethylhexanol 34.16
    isooctanol 32.63
    dipropyl ether 20.51
    1,2-dichlorobenzene 23.62
    ethyl lactate 72.81
    propylene carbonate 136.89
    n-methylformamide 503.38
    2-pentanol 100.42
    n-pentane 0.39
    1-propoxy-2-propanol 135.38
    1-methoxy-2-propyl acetate 129.01
    2-(2-methoxypropoxy) propanol 104.75
    mesitylene 10.03
    ε-caprolactone 165.97
    p-cymene 10.09
    epichlorohydrin 338.2
    1,1,1-trichloroethane 33.08
    2-aminoethanol 306.12
    morpholine-4-carbaldehyde 389.49
    sulfolane 395.64
    2,2,4-trimethylpentane 1.49
    2-methyltetrahydrofuran 208.09
    n-hexyl acetate 54.3
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 144.05
    sec-butyl acetate 57.86
    tert-butyl acetate 132.24
    decalin 1.32
    glycerin 320.84
    diglyme 234.28
    acrylic acid 138.47
    isopropyl myristate 19.81
    n-butyric acid 173.66
    acetyl acetate 72.26
    di(2-ethylhexyl) phthalate 27.95
    ethyl propionate 77.03
    nitromethane 458.66
    1,2-diethoxyethane 68.04
    benzonitrile 41.06
    trioctyl phosphate 21.38
    1-bromopropane 17.35
    gamma-valerolactone 368.57
    n-decanol 19.36
    triethyl phosphate 32.26
    4-methyl-2-pentanol 54.56
    propionitrile 75.71
    vinylene carbonate 100.07
    1,1,2-trichlorotrifluoroethane 260.12
    DMS 68.91
    cumene 11.02
    2-octanol 23.05
    2-hexanone 72.54
    octyl acetate 28.62
    limonene 14.01
    1,2-dimethoxyethane 265.42
    ethyl orthosilicate 29.43
    tributyl phosphate 23.16
    diacetone alcohol 259.05
    N,N-dimethylaniline 49.83
    acrylonitrile 124.79
    aniline 49.2
    1,3-propanediol 333.59
    bromobenzene 13.58
    dibromomethane 24.04
    1,1,2,2-tetrachloroethane 101.82
    2-methyl-cyclohexyl acetate 46.76
    tetrabutyl urea 32.68
    diisobutyl methanol 21.65
    2-phenylethanol 69.83
    styrene 12.01
    dioctyl adipate 36.62
    dimethyl sulfate 193.45
    ethyl butyrate 49.57
    methyl lactate 170.09
    butyl lactate 50.14
    diethyl carbonate 33.94
    propanediol butyl ether 108.07
    triethyl orthoformate 34.14
    p-tert-butyltoluene 11.94
    methyl 4-tert-butylbenzoate 72.84
    morpholine 319.11
    tert-butylamine 83.39
    n-dodecanol 13.67
    dimethoxymethane 387.37
    ethylene carbonate 79.92
    cyrene 128.2
    2-ethoxyethyl acetate 81.6
    2-ethylhexyl acetate 48.88
    1,2,4-trichlorobenzene 36.83
    4-methylpyridine 94.59
    dibutyl ether 16.0
    2,6-dimethyl-4-heptanol 21.65
    DEF 233.92
    dimethyl isosorbide 169.77
    tetrachloroethylene 54.07
    eugenol 75.31
    triacetin 68.39
    span 80 72.46
    1,4-butanediol 94.11
    1,1-dichloroethane 36.17
    2-methyl-1-pentanol 81.74
    methyl formate 238.98
    2-methyl-1-butanol 128.89
    n-decane 0.99
    butyronitrile 57.3
    3,7-dimethyl-1-octanol 29.61
    1-chlorooctane 6.88
    1-chlorotetradecane 3.31
    n-nonane 0.77
    undecane 0.82
    tert-butylcyclohexane 1.73
    cyclooctane 0.31
    cyclopentanol 114.01
    tetrahydropyran 76.13
    tert-amyl methyl ether 107.3
    2,5,8-trioxanonane 165.57
    1-hexene 4.26
    2-isopropoxyethanol 180.47
    2,2,2-trifluoroethanol 82.4
    methyl butyrate 99.51

    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