Protoconstipatic acid

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  • Identifiers

    CAS number
    73036-29-0

    Molecular formula
    C21H36O5

    SMILES
    C[C@@H](CCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.46%
    Lactonic 33.24%
    Fatty 30.87%
    Milky 30.68%
    Waxy 29.14%
    Sweet 29.02%
    Fresh 28.21%
    Citrus 27.19%
    Oily 25.92%
    Peach 25.68%

     

    Flavor
    Waxy 33.96%
    Fatty 30.37%
    Oily 29.33%
    Mild 28.88%
    Odorless 28.22%
    Bland 25.77%
    Bitter 24.61%
    Herbal 22.42%
    Slightly waxy 21.8%
    Fruity 21.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    6.57 (neutral)

    Molecular weight
    368.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    444°C

    Flash point

    • 212.01 ˚C est.

  • Synonyms

    • Protoconstipatic acid
    • 73036-29-0
    • (2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
    • DTXSID60223314
    • (2S,3R)-2-((14S)-14-hydroxypentadecyl)-4-methylidene-5-oxooxolane-3-carboxylic acid
    • RefChem:176673
    • DTXCID60145805
    • SCHEMBL31079630
    • CHEBI:199262
    • 73036-29-0

  • Applications

    Protoconstipatic acid (CAS 73036-29-0) is a multifunctional organic acid that is typically evaluated as an intermediate in chemical synthesis and may serve as a chelating agent or stabilizer in formulations. In industrial practice, potential applications include use as a reactive intermediate in polymer and pharmaceutical syntheses; its role as a chelating additive in cleaners, coatings, and inks; its function as a processing aid or stabilizer in plastics, adhesives, and related materials; and exploration as a component in specialty coatings or formulation systems where acidity, buffering, or metal ion control is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.46
    methanol 67.3
    isopropanol 53.23
    water 0.13
    ethyl acetate 63.89
    n-propanol 62.91
    acetone 114.22
    n-butanol 54.47
    acetonitrile 24.81
    DMF 253.73
    toluene 30.15
    isobutanol 47.71
    1,4-dioxane 98.39
    methyl acetate 63.56
    THF 463.71
    2-butanone 113.96
    n-pentanol 50.1
    sec-butanol 59.93
    n-hexane 3.55
    ethylene glycol 5.6
    NMP 465.27
    cyclohexane 7.07
    DMSO 411.72
    n-butyl acetate 73.19
    n-octanol 26.18
    chloroform 183.11
    n-propyl acetate 84.11
    acetic acid 81.58
    dichloromethane 199.93
    cyclohexanone 275.65
    propylene glycol 18.53
    isopropyl acetate 71.67
    DMAc 513.9
    2-ethoxyethanol 111.99
    isopentanol 56.52
    n-heptane 1.76
    ethyl formate 45.45
    1,2-dichloroethane 144.43
    n-hexanol 31.98
    2-methoxyethanol 125.53
    isobutyl acetate 60.49
    tetrachloromethane 31.81
    n-pentyl acetate 95.0
    transcutol 279.1
    n-heptanol 28.59
    ethylbenzene 22.84
    MIBK 82.8
    2-propoxyethanol 102.97
    tert-butanol 77.73
    MTBE 67.59
    2-butoxyethanol 94.13
    propionic acid 60.99
    o-xylene 30.76
    formic acid 27.14
    diethyl ether 41.42
    m-xylene 25.15
    p-xylene 32.91
    chlorobenzene 53.02
    dimethyl carbonate 35.96
    n-octane 1.65
    formamide 53.36
    cyclopentanone 348.51
    2-pentanone 100.95
    anisole 54.17
    cyclopentyl methyl ether 132.81
    gamma-butyrolactone 325.89
    1-methoxy-2-propanol 124.18
    pyridine 107.94
    3-pentanone 79.04
    furfural 186.32
    n-dodecane 1.34
    diethylene glycol 50.6
    diisopropyl ether 17.64
    tert-amyl alcohol 80.75
    acetylacetone 135.88
    n-hexadecane 1.59
    acetophenone 86.3
    methyl propionate 70.3
    isopentyl acetate 82.55
    trichloroethylene 252.96
    n-nonanol 27.87
    cyclohexanol 74.03
    benzyl alcohol 54.64
    2-ethylhexanol 24.05
    isooctanol 27.79
    dipropyl ether 26.24
    1,2-dichlorobenzene 60.6
    ethyl lactate 50.01
    propylene carbonate 159.08
    n-methylformamide 80.89
    2-pentanol 38.86
    n-pentane 2.54
    1-propoxy-2-propanol 77.42
    1-methoxy-2-propyl acetate 95.79
    2-(2-methoxypropoxy) propanol 91.86
    mesitylene 17.43
    ε-caprolactone 233.75
    p-cymene 15.81
    epichlorohydrin 306.03
    1,1,1-trichloroethane 125.33
    2-aminoethanol 26.12
    morpholine-4-carbaldehyde 254.24
    sulfolane 535.16
    2,2,4-trimethylpentane 3.82
    2-methyltetrahydrofuran 221.57
    n-hexyl acetate 97.13
    isooctane 2.19
    2-(2-butoxyethoxy)ethanol 117.6
    sec-butyl acetate 66.16
    tert-butyl acetate 97.49
    decalin 6.4
    glycerin 32.46
    diglyme 218.24
    acrylic acid 43.27
    isopropyl myristate 29.55
    n-butyric acid 106.75
    acetyl acetate 50.42
    di(2-ethylhexyl) phthalate 38.03
    ethyl propionate 63.69
    nitromethane 129.26
    1,2-diethoxyethane 83.13
    benzonitrile 49.83
    trioctyl phosphate 27.09
    1-bromopropane 65.16
    gamma-valerolactone 406.87
    n-decanol 18.29
    triethyl phosphate 38.26
    4-methyl-2-pentanol 29.67
    propionitrile 28.54
    vinylene carbonate 108.6
    1,1,2-trichlorotrifluoroethane 197.96
    DMS 62.92
    cumene 18.37
    2-octanol 23.14
    2-hexanone 91.75
    octyl acetate 42.8
    limonene 24.63
    1,2-dimethoxyethane 167.29
    ethyl orthosilicate 38.42
    tributyl phosphate 34.92
    diacetone alcohol 131.91
    N,N-dimethylaniline 43.67
    acrylonitrile 35.46
    aniline 46.48
    1,3-propanediol 48.65
    bromobenzene 50.8
    dibromomethane 120.5
    1,1,2,2-tetrachloroethane 250.92
    2-methyl-cyclohexyl acetate 68.82
    tetrabutyl urea 52.64
    diisobutyl methanol 16.84
    2-phenylethanol 48.47
    styrene 24.82
    dioctyl adipate 56.01
    dimethyl sulfate 102.48
    ethyl butyrate 58.76
    methyl lactate 53.46
    butyl lactate 79.63
    diethyl carbonate 35.74
    propanediol butyl ether 72.93
    triethyl orthoformate 48.44
    p-tert-butyltoluene 15.27
    methyl 4-tert-butylbenzoate 92.87
    morpholine 174.36
    tert-butylamine 38.15
    n-dodecanol 12.14
    dimethoxymethane 114.64
    ethylene carbonate 100.79
    cyrene 112.99
    2-ethoxyethyl acetate 117.61
    2-ethylhexyl acetate 61.67
    1,2,4-trichlorobenzene 84.05
    4-methylpyridine 106.39
    dibutyl ether 35.29
    2,6-dimethyl-4-heptanol 16.84
    DEF 135.49
    dimethyl isosorbide 185.79
    tetrachloroethylene 148.88
    eugenol 84.15
    triacetin 106.78
    span 80 75.81
    1,4-butanediol 24.74
    1,1-dichloroethane 112.83
    2-methyl-1-pentanol 56.36
    methyl formate 53.64
    2-methyl-1-butanol 56.25
    n-decane 2.73
    butyronitrile 38.29
    3,7-dimethyl-1-octanol 28.11
    1-chlorooctane 18.78
    1-chlorotetradecane 5.89
    n-nonane 2.32
    undecane 1.81
    tert-butylcyclohexane 5.03
    cyclooctane 2.34
    cyclopentanol 105.36
    tetrahydropyran 147.61
    tert-amyl methyl ether 64.43
    2,5,8-trioxanonane 139.12
    1-hexene 17.8
    2-isopropoxyethanol 84.12
    2,2,2-trifluoroethanol 41.98
    methyl butyrate 105.78

    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