Coronaric acid

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  • Identifiers

    CAS number
    16833-56-0

    Molecular formula
    C18H32O3

    SMILES
    CCCCC/C=C\C[C@H]1[C@H](O1)CCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 53.47%
    Oily 38.72%
    Waxy 37.33%
    Citrus 32.5%
    Meaty 31.63%
    Peach 29.34%
    Savory 28.11%
    Milky 27.79%
    Lactonic 26.51%
    Dairy 25.19%

     

    Flavor
    Fatty 45.75%
    Waxy 39.79%
    Oily 29.92%
    Mild 27.39%
    Faint 25.13%
    Fat 24.19%
    Slightly waxy 22.81%
    Bland 22.51%
    Bay oil 22.29%
    Creamy 21.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    6.59 (neutral)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    390°C

    Flash point

    • 191.11 ˚C est.

  • Synonyms

    • Coronaric acid
    • 16833-56-0
    • 7U94YS1WZ0
    • (2R,3S)-3-(2Z)-2-Octen-1-yl-2-oxiraneoctanoic acid
    • (-)-cis-9,10-Epoxy-12(Z)-octadecenoic acid
    • Oxiraneoctanoic acid, 3-(2Z)-2-octenyl-, (2R,3S)-
    • 2-Oxiraneoctanoic acid, 3-(2Z)-2-octen-1-yl-, (2R,3S)-
    • DTXSID201347431
    • RefChem:1082221
    • DTXCID701837623
    • (9R,10S)-(12Z)-9,10-Epoxyoctadecenoic acid
    • 9R,10S-EpOME
    • 9R,10S-epoxy-12Z-octadecenoic acid
    • UNII-7U94YS1WZ0
    • 8-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid
    • 9(R),10(S)-Epoxy-12(Z)-octadecenoic acid,97+%
    • SCHEMBL2511769
    • CHEBI:86022
    • LMFA02000283
    • HY-W749980
    • (9R,10S)-9(10)-EpOME
    • 9(R),10(S)-Epoxy-12(Z)-octadecenoic acid
    • H57949
    • Q27158852
    • 8-{(2R,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid
    • 16833-56-0

  • Applications

    Coronaric acid (CAS 16833-56-0) is an organic carboxylic acid used mainly as an intermediate in chemical synthesis; in practice, it is often employed as a feedstock for ester formation to produce components for coatings and inks; it can also serve as a building block for polymers and plastics, playing the role of a stabilizing additive or a linking agent in several polymer systems; additionally, it is viewed as a precursor for surfactant or chelating agents in formulation chemistry and may have potential applications in surface treatment or additive development contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 335.03
    methanol 246.95
    isopropanol 237.83
    water 0.01
    ethyl acetate 239.99
    n-propanol 228.79
    acetone 245.34
    n-butanol 235.94
    acetonitrile 70.17
    DMF 183.52
    toluene 64.82
    isobutanol 154.53
    1,4-dioxane 315.95
    methyl acetate 145.73
    THF 917.69
    2-butanone 265.5
    n-pentanol 184.34
    sec-butanol 205.54
    n-hexane 14.09
    ethylene glycol 14.98
    NMP 205.94
    cyclohexane 29.06
    DMSO 475.61
    n-butyl acetate 217.29
    n-octanol 49.02
    chloroform 400.09
    n-propyl acetate 243.83
    acetic acid 125.18
    dichloromethane 422.52
    cyclohexanone 382.69
    propylene glycol 56.43
    isopropyl acetate 224.86
    DMAc 363.36
    2-ethoxyethanol 359.03
    isopentanol 229.32
    n-heptane 8.05
    ethyl formate 86.49
    1,2-dichloroethane 333.08
    n-hexanol 136.16
    2-methoxyethanol 378.69
    isobutyl acetate 178.82
    tetrachloromethane 45.04
    n-pentyl acetate 145.2
    transcutol 1086.71
    n-heptanol 58.7
    ethylbenzene 48.5
    MIBK 226.99
    2-propoxyethanol 319.01
    tert-butanol 266.37
    MTBE 323.91
    2-butoxyethanol 186.13
    propionic acid 95.64
    o-xylene 50.53
    formic acid 31.0
    diethyl ether 280.36
    m-xylene 50.15
    p-xylene 56.79
    chlorobenzene 92.58
    dimethyl carbonate 41.52
    n-octane 3.61
    formamide 61.04
    cyclopentanone 358.94
    2-pentanone 296.01
    anisole 137.15
    cyclopentyl methyl ether 277.05
    gamma-butyrolactone 291.5
    1-methoxy-2-propanol 352.99
    pyridine 196.31
    3-pentanone 160.02
    furfural 217.86
    n-dodecane 3.44
    diethylene glycol 169.76
    diisopropyl ether 82.6
    tert-amyl alcohol 220.24
    acetylacetone 275.29
    n-hexadecane 4.06
    acetophenone 141.61
    methyl propionate 136.12
    isopentyl acetate 226.82
    trichloroethylene 471.56
    n-nonanol 50.26
    cyclohexanol 182.42
    benzyl alcohol 115.28
    2-ethylhexanol 82.17
    isooctanol 57.63
    dipropyl ether 122.52
    1,2-dichlorobenzene 96.41
    ethyl lactate 94.61
    propylene carbonate 166.42
    n-methylformamide 77.79
    2-pentanol 165.11
    n-pentane 11.51
    1-propoxy-2-propanol 246.33
    1-methoxy-2-propyl acetate 254.59
    2-(2-methoxypropoxy) propanol 181.77
    mesitylene 35.82
    ε-caprolactone 329.44
    p-cymene 35.24
    epichlorohydrin 536.77
    1,1,1-trichloroethane 213.9
    2-aminoethanol 71.58
    morpholine-4-carbaldehyde 267.82
    sulfolane 399.87
    2,2,4-trimethylpentane 12.92
    2-methyltetrahydrofuran 545.52
    n-hexyl acetate 167.43
    isooctane 9.72
    2-(2-butoxyethoxy)ethanol 271.85
    sec-butyl acetate 187.58
    tert-butyl acetate 259.78
    decalin 17.28
    glycerin 68.07
    diglyme 508.74
    acrylic acid 55.71
    isopropyl myristate 58.85
    n-butyric acid 232.98
    acetyl acetate 118.78
    di(2-ethylhexyl) phthalate 60.15
    ethyl propionate 166.82
    nitromethane 184.07
    1,2-diethoxyethane 353.21
    benzonitrile 96.49
    trioctyl phosphate 37.92
    1-bromopropane 203.78
    gamma-valerolactone 498.88
    n-decanol 34.5
    triethyl phosphate 74.64
    4-methyl-2-pentanol 111.06
    propionitrile 83.26
    vinylene carbonate 112.84
    1,1,2-trichlorotrifluoroethane 298.97
    DMS 104.79
    cumene 38.64
    2-octanol 40.1
    2-hexanone 243.32
    octyl acetate 72.02
    limonene 58.92
    1,2-dimethoxyethane 513.67
    ethyl orthosilicate 79.07
    tributyl phosphate 54.49
    diacetone alcohol 295.32
    N,N-dimethylaniline 89.08
    acrylonitrile 74.13
    aniline 94.38
    1,3-propanediol 160.67
    bromobenzene 100.91
    dibromomethane 269.79
    1,1,2,2-tetrachloroethane 432.26
    2-methyl-cyclohexyl acetate 143.18
    tetrabutyl urea 74.13
    diisobutyl methanol 58.99
    2-phenylethanol 110.82
    styrene 58.74
    dioctyl adipate 98.52
    dimethyl sulfate 81.33
    ethyl butyrate 157.86
    methyl lactate 81.66
    butyl lactate 116.01
    diethyl carbonate 90.18
    propanediol butyl ether 154.29
    triethyl orthoformate 127.93
    p-tert-butyltoluene 33.92
    methyl 4-tert-butylbenzoate 118.98
    morpholine 533.71
    tert-butylamine 147.27
    n-dodecanol 25.93
    dimethoxymethane 241.51
    ethylene carbonate 114.35
    cyrene 167.04
    2-ethoxyethyl acetate 237.5
    2-ethylhexyl acetate 163.93
    1,2,4-trichlorobenzene 125.08
    4-methylpyridine 183.33
    dibutyl ether 108.7
    2,6-dimethyl-4-heptanol 58.99
    DEF 230.43
    dimethyl isosorbide 278.57
    tetrachloroethylene 234.14
    eugenol 115.83
    triacetin 180.58
    span 80 138.72
    1,4-butanediol 64.62
    1,1-dichloroethane 268.8
    2-methyl-1-pentanol 185.15
    methyl formate 43.42
    2-methyl-1-butanol 185.96
    n-decane 6.27
    butyronitrile 137.28
    3,7-dimethyl-1-octanol 71.28
    1-chlorooctane 36.46
    1-chlorotetradecane 13.36
    n-nonane 5.33
    undecane 4.44
    tert-butylcyclohexane 14.27
    cyclooctane 7.88
    cyclopentanol 180.29
    tetrahydropyran 488.04
    tert-amyl methyl ether 211.8
    2,5,8-trioxanonane 304.5
    1-hexene 74.21
    2-isopropoxyethanol 272.67
    2,2,2-trifluoroethanol 35.88
    methyl butyrate 232.09

    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