Cyclocarboxypropyloleic acid

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  • Identifiers

    CAS number
    53980-88-4

    Molecular formula
    C21H36O4

    SMILES
    CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 49.25%
    Fatty 48.25%
    Citrus 38.13%
    Green 37.29%
    Herbal 34.63%
    Oily 33.97%
    Floral 31.06%
    Milky 31.03%
    Lactonic 29.68%
    Fresh 29.29%

     

    Flavor
    Fatty 55.48%
    Waxy 49.77%
    Oily 36.27%
    Mild 32.44%
    Odorless 30.07%
    Fruity 29.61%
    Fat 28.23%
    Creamy 26.0%
    Coconut 23.84%
    Bay oil 23.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    5.84 (weak acid)

    Molecular weight
    352.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Flash point

    • 238.16 ˚C est.

  • Synonyms

    • 53980-88-4
    • Cyclocarboxypropyloleic acid
    • 5(Or 6)-carboxy-4-hexylcyclohex-2-ene-1-octanoic acid
    • C21-Dicarboxylic acid
    • SWI7TZX7JS
    • EINECS 258-897-1
    • 5(or 6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid
    • 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-
    • ACRYLINOLEIC ACID
    • RefChem:580282
    • DIACID C21
    • WESTVACO 1550
    • WESTVACO WV 1550
    • DIACID 1550
    • WESTVACO DIACID 1550
    • DA 1550
    • CYCLOCARBOXYPROPYLOLEIC ACID [INCI]
    • 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid
    • 2-cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-
    • 42763-47-3
    • FG93I77V75
    • 1-Carboxy-2-hexyl-5-(7-carboxyheptyl)cyclohex-3-ene
    • 8-(5-Carboxy-4-hexyl-2-cyclohexen-1-yl)octanoic acid
    • (+/-)-5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid
    • UNII-FG93I77V75
    • UNII-SWI7TZX7JS
    • 5(6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid
    • SCHEMBL3367340
    • DTXSID90880414
    • RYKIXDBAIYMFDV-UHFFFAOYSA-N
    • 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid
    • NS00013542
    • Q27277967
    • 5-(7-carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic Acid
    • 53980-88-4

  • Applications

    Cyclocarboxypropyloleic acid (CAS 53980-88-4) is used as an intermediate in the synthesis of fatty-acid-derived polymers and resins, as a plasticizer or processing aid for polymer systems, coatings and varnishes, as a precursor for surfactants and emulsifiers in cosmetic and personal care formulations, as an emollient ingredient in cosmetics, and as a modifier or stabilizer component in coatings and inks; it may also find use in cleaning formulations as a solvent or surfactant aid, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.09
    methanol 100.48
    isopropanol 77.84
    water 0.04
    ethyl acetate 44.93
    n-propanol 79.65
    acetone 88.21
    n-butanol 64.84
    acetonitrile 11.39
    DMF 176.11
    toluene 23.64
    isobutanol 50.74
    1,4-dioxane 97.1
    methyl acetate 33.75
    THF 384.09
    2-butanone 75.1
    n-pentanol 54.23
    sec-butanol 59.25
    n-hexane 4.02
    ethylene glycol 5.91
    NMP 242.14
    cyclohexane 5.67
    DMSO 329.78
    n-butyl acetate 54.88
    n-octanol 27.89
    chloroform 66.25
    n-propyl acetate 46.63
    acetic acid 44.79
    dichloromethane 66.1
    cyclohexanone 157.58
    propylene glycol 23.59
    isopropyl acetate 55.73
    DMAc 304.04
    2-ethoxyethanol 115.32
    isopentanol 72.67
    n-heptane 1.85
    ethyl formate 21.96
    1,2-dichloroethane 74.23
    n-hexanol 48.47
    2-methoxyethanol 145.61
    isobutyl acetate 37.55
    tetrachloromethane 12.49
    n-pentyl acetate 59.59
    transcutol 460.82
    n-heptanol 33.54
    ethylbenzene 20.31
    MIBK 80.91
    2-propoxyethanol 133.24
    tert-butanol 97.89
    MTBE 76.05
    2-butoxyethanol 98.23
    propionic acid 37.42
    o-xylene 27.42
    formic acid 17.61
    diethyl ether 53.39
    m-xylene 25.77
    p-xylene 21.58
    chlorobenzene 25.21
    dimethyl carbonate 22.51
    n-octane 1.41
    formamide 31.91
    cyclopentanone 196.23
    2-pentanone 87.06
    anisole 44.58
    cyclopentyl methyl ether 122.85
    gamma-butyrolactone 148.07
    1-methoxy-2-propanol 164.05
    pyridine 65.09
    3-pentanone 55.0
    furfural 96.31
    n-dodecane 1.16
    diethylene glycol 68.61
    diisopropyl ether 22.48
    tert-amyl alcohol 83.01
    acetylacetone 102.74
    n-hexadecane 1.37
    acetophenone 52.32
    methyl propionate 48.25
    isopentyl acetate 67.2
    trichloroethylene 102.58
    n-nonanol 29.03
    cyclohexanol 68.24
    benzyl alcohol 44.93
    2-ethylhexanol 29.8
    isooctanol 31.89
    dipropyl ether 30.54
    1,2-dichlorobenzene 29.86
    ethyl lactate 34.46
    propylene carbonate 68.94
    n-methylformamide 50.1
    2-pentanol 46.17
    n-pentane 2.69
    1-propoxy-2-propanol 102.2
    1-methoxy-2-propyl acetate 94.76
    2-(2-methoxypropoxy) propanol 96.8
    mesitylene 17.84
    ε-caprolactone 129.39
    p-cymene 14.41
    epichlorohydrin 167.98
    1,1,1-trichloroethane 46.67
    2-aminoethanol 32.91
    morpholine-4-carbaldehyde 185.61
    sulfolane 306.89
    2,2,4-trimethylpentane 4.29
    2-methyltetrahydrofuran 168.05
    n-hexyl acetate 71.55
    isooctane 3.13
    2-(2-butoxyethoxy)ethanol 153.49
    sec-butyl acetate 41.9
    tert-butyl acetate 88.58
    decalin 5.8
    glycerin 36.02
    diglyme 230.2
    acrylic acid 25.08
    isopropyl myristate 25.47
    n-butyric acid 71.46
    acetyl acetate 29.46
    di(2-ethylhexyl) phthalate 31.13
    ethyl propionate 37.42
    nitromethane 60.52
    1,2-diethoxyethane 99.62
    benzonitrile 27.45
    trioctyl phosphate 21.97
    1-bromopropane 36.76
    gamma-valerolactone 247.3
    n-decanol 19.77
    triethyl phosphate 25.11
    4-methyl-2-pentanol 37.93
    propionitrile 16.77
    vinylene carbonate 42.48
    1,1,2-trichlorotrifluoroethane 119.2
    DMS 42.91
    cumene 16.96
    2-octanol 22.95
    2-hexanone 63.08
    octyl acetate 35.04
    limonene 23.08
    1,2-dimethoxyethane 146.95
    ethyl orthosilicate 27.57
    tributyl phosphate 26.29
    diacetone alcohol 135.17
    N,N-dimethylaniline 42.6
    acrylonitrile 18.33
    aniline 38.26
    1,3-propanediol 65.29
    bromobenzene 24.12
    dibromomethane 45.84
    1,1,2,2-tetrachloroethane 113.13
    2-methyl-cyclohexyl acetate 49.2
    tetrabutyl urea 41.33
    diisobutyl methanol 21.1
    2-phenylethanol 46.29
    styrene 20.28
    dioctyl adipate 44.5
    dimethyl sulfate 58.03
    ethyl butyrate 38.89
    methyl lactate 44.1
    butyl lactate 62.15
    diethyl carbonate 21.09
    propanediol butyl ether 90.75
    triethyl orthoformate 35.88
    p-tert-butyltoluene 14.98
    methyl 4-tert-butylbenzoate 76.06
    morpholine 173.25
    tert-butylamine 47.28
    n-dodecanol 13.2
    dimethoxymethane 130.49
    ethylene carbonate 39.17
    cyrene 89.58
    2-ethoxyethyl acetate 88.86
    2-ethylhexyl acetate 49.65
    1,2,4-trichlorobenzene 40.01
    4-methylpyridine 62.79
    dibutyl ether 32.05
    2,6-dimethyl-4-heptanol 21.1
    DEF 98.05
    dimethyl isosorbide 165.28
    tetrachloroethylene 67.51
    eugenol 66.86
    triacetin 75.63
    span 80 81.94
    1,4-butanediol 23.49
    1,1-dichloroethane 47.75
    2-methyl-1-pentanol 60.46
    methyl formate 25.03
    2-methyl-1-butanol 61.03
    n-decane 2.28
    butyronitrile 25.41
    3,7-dimethyl-1-octanol 31.34
    1-chlorooctane 13.51
    1-chlorotetradecane 4.86
    n-nonane 1.92
    undecane 1.57
    tert-butylcyclohexane 4.85
    cyclooctane 2.31
    cyclopentanol 81.76
    tetrahydropyran 131.48
    tert-amyl methyl ether 68.81
    2,5,8-trioxanonane 149.63
    1-hexene 18.16
    2-isopropoxyethanol 88.92
    2,2,2-trifluoroethanol 17.39
    methyl butyrate 50.97

    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