Jacaric acid

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  • Identifiers

    CAS number
    28872-28-8

    Molecular formula
    C18H30O2

    SMILES
    CCCCC/C=C\C=C\C=C/CCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 81.82%
    Oily 59.08%
    Waxy 42.14%
    Green 31.37%
    Fruity 27.96%
    Dairy 26.12%
    Fishy 25.14%
    Sweet 23.91%
    Woody 23.8%
    Milky 22.05%

     

    Flavor
    Fatty 33.85%
    Faint 24.92%
    Oriental 20.23%
    Pumpkin 19.8%
    Slightly waxy 19.54%
    Diterpene 19.47%
    Low 19.4%
    Delicate 19.13%
    Bay oil 18.86%
    Terpentine 18.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    7.72 (neutral)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 216.5 ˚C est.

  • Synonyms

    • Jacaric acid
    • 28872-28-8
    • 8Z,10E,12Z-octadecatrienoic acid
    • APY53D8J4D
    • (8Z,10E,12Z)-8,10,12-Octadecatrienoic acid
    • DTXSID901027545
    • RefChem:150297
    • DTXCID501513138
    • (8Z,10E,12Z)-octadeca-8,10,12-trienoic acid
    • Jacaranda acid
    • Jarcaric acid
    • 8,10,12-Octadecatrienoic acid, (8Z,10E,12Z)-
    • 8,10,12-Octadecatrienoic acid, (Z,Z,E)-
    • cis-8, trans-10, cis-12-octadecatrienoic acid
    • 8(Z),10(E),12(Z)-Octadecatrienoic acid(jacaric)
    • Jacaric Acid (10mg/mL in Ethanol)
    • Jarcaric Acid; (8Z,10E,12Z)-8,10,12-Octadecatrienoic Acid;
    • UNII-APY53D8J4D
    • orb1694039
    • SCHEMBL3341880
    • CHEBI:180177
    • LMFA01030143
    • MFCD05864027
    • AKOS040755046
    • HY-121619
    • CS-0082888
    • cis,trans,cis-8,10,12-octadecatrienoic acid
    • 8(Z),10(E),12(Z)-OCTADECATRIENOIC ACID
    • Q2823276
    • 28872-28-8

  • Applications

    Jacaric acid (CAS 28872-28-8) is a polyunsaturated fatty acid primarily used as a feedstock or intermediate to prepare ester derivatives for various industrial applications. In cosmetics and personal care, it serves as a starting material for emollient esters and fragrance-related compounds; in polymers, plastics, and coatings, it provides a biobased building block for polyester synthesis and plasticizer development; in cleaning and surfactant formulations, it can be converted to surfactant esters and related cleaners; and in pharmaceutical or agricultural chemical syntheses, it is evaluated as an intermediate, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 228.48
    methanol 183.46
    isopropanol 185.97
    water 0.01
    ethyl acetate 173.0
    n-propanol 177.88
    acetone 224.73
    n-butanol 182.76
    acetonitrile 42.36
    DMF 330.42
    toluene 67.67
    isobutanol 133.44
    1,4-dioxane 223.73
    methyl acetate 97.96
    THF 793.76
    2-butanone 217.29
    n-pentanol 165.8
    sec-butanol 165.52
    n-hexane 44.45
    ethylene glycol 7.85
    NMP 388.24
    cyclohexane 53.71
    DMSO 635.31
    n-butyl acetate 228.44
    n-octanol 71.81
    chloroform 248.55
    n-propyl acetate 216.6
    acetic acid 70.89
    dichloromethane 277.58
    cyclohexanone 405.92
    propylene glycol 35.49
    isopropyl acetate 173.08
    DMAc 470.41
    2-ethoxyethanol 243.78
    isopentanol 197.23
    n-heptane 21.75
    ethyl formate 65.54
    1,2-dichloroethane 283.36
    n-hexanol 144.87
    2-methoxyethanol 277.97
    isobutyl acetate 163.32
    tetrachloromethane 46.47
    n-pentyl acetate 179.94
    transcutol 1068.12
    n-heptanol 78.31
    ethylbenzene 63.4
    MIBK 228.56
    2-propoxyethanol 270.22
    tert-butanol 250.04
    MTBE 285.19
    2-butoxyethanol 186.6
    propionic acid 75.96
    o-xylene 63.21
    formic acid 16.4
    diethyl ether 234.13
    m-xylene 67.68
    p-xylene 71.97
    chlorobenzene 88.51
    dimethyl carbonate 39.54
    n-octane 9.5
    formamide 33.67
    cyclopentanone 416.48
    2-pentanone 262.69
    anisole 135.73
    cyclopentyl methyl ether 345.42
    gamma-butyrolactone 311.4
    1-methoxy-2-propanol 303.1
    pyridine 171.3
    3-pentanone 156.27
    furfural 214.88
    n-dodecane 6.49
    diethylene glycol 106.86
    diisopropyl ether 89.9
    tert-amyl alcohol 216.21
    acetylacetone 250.12
    n-hexadecane 7.63
    acetophenone 151.04
    methyl propionate 134.04
    isopentyl acetate 234.38
    trichloroethylene 358.99
    n-nonanol 72.72
    cyclohexanol 182.46
    benzyl alcohol 97.7
    2-ethylhexanol 111.8
    isooctanol 83.15
    dipropyl ether 186.87
    1,2-dichlorobenzene 100.14
    ethyl lactate 82.77
    propylene carbonate 162.1
    n-methylformamide 85.51
    2-pentanol 148.41
    n-pentane 22.68
    1-propoxy-2-propanol 252.9
    1-methoxy-2-propyl acetate 237.01
    2-(2-methoxypropoxy) propanol 181.54
    mesitylene 53.73
    ε-caprolactone 312.14
    p-cymene 45.83
    epichlorohydrin 429.09
    1,1,1-trichloroethane 190.32
    2-aminoethanol 47.71
    morpholine-4-carbaldehyde 316.09
    sulfolane 569.54
    2,2,4-trimethylpentane 20.52
    2-methyltetrahydrofuran 476.15
    n-hexyl acetate 206.72
    isooctane 16.47
    2-(2-butoxyethoxy)ethanol 277.43
    sec-butyl acetate 173.81
    tert-butyl acetate 250.72
    decalin 34.21
    glycerin 47.64
    diglyme 501.8
    acrylic acid 41.14
    isopropyl myristate 78.89
    n-butyric acid 192.89
    acetyl acetate 78.77
    di(2-ethylhexyl) phthalate 65.41
    ethyl propionate 157.52
    nitromethane 127.84
    1,2-diethoxyethane 361.73
    benzonitrile 87.99
    trioctyl phosphate 51.55
    1-bromopropane 187.64
    gamma-valerolactone 480.76
    n-decanol 51.8
    triethyl phosphate 83.27
    4-methyl-2-pentanol 103.11
    propionitrile 63.62
    vinylene carbonate 103.26
    1,1,2-trichlorotrifluoroethane 247.88
    DMS 102.06
    cumene 53.39
    2-octanol 59.28
    2-hexanone 253.86
    octyl acetate 91.58
    limonene 85.31
    1,2-dimethoxyethane 414.42
    ethyl orthosilicate 93.03
    tributyl phosphate 67.76
    diacetone alcohol 283.36
    N,N-dimethylaniline 116.75
    acrylonitrile 54.98
    aniline 84.75
    1,3-propanediol 105.02
    bromobenzene 99.5
    dibromomethane 206.64
    1,1,2,2-tetrachloroethane 381.98
    2-methyl-cyclohexyl acetate 170.28
    tetrabutyl urea 103.69
    diisobutyl methanol 76.59
    2-phenylethanol 104.73
    styrene 71.01
    dioctyl adipate 127.05
    dimethyl sulfate 95.19
    ethyl butyrate 174.8
    methyl lactate 74.66
    butyl lactate 139.7
    diethyl carbonate 87.43
    propanediol butyl ether 162.63
    triethyl orthoformate 141.95
    p-tert-butyltoluene 46.63
    methyl 4-tert-butylbenzoate 152.2
    morpholine 410.71
    tert-butylamine 157.59
    n-dodecanol 37.62
    dimethoxymethane 250.56
    ethylene carbonate 96.13
    cyrene 161.21
    2-ethoxyethyl acetate 217.97
    2-ethylhexyl acetate 184.92
    1,2,4-trichlorobenzene 121.4
    4-methylpyridine 186.82
    dibutyl ether 170.3
    2,6-dimethyl-4-heptanol 76.59
    DEF 278.87
    dimethyl isosorbide 348.63
    tetrachloroethylene 213.4
    eugenol 134.04
    triacetin 183.58
    span 80 166.82
    1,4-butanediol 39.76
    1,1-dichloroethane 198.82
    2-methyl-1-pentanol 170.16
    methyl formate 41.78
    2-methyl-1-butanol 164.12
    n-decane 13.0
    butyronitrile 111.29
    3,7-dimethyl-1-octanol 92.35
    1-chlorooctane 62.36
    1-chlorotetradecane 21.97
    n-nonane 12.27
    undecane 8.77
    tert-butylcyclohexane 29.6
    cyclooctane 16.57
    cyclopentanol 174.2
    tetrahydropyran 425.22
    tert-amyl methyl ether 220.67
    2,5,8-trioxanonane 319.21
    1-hexene 134.64
    2-isopropoxyethanol 209.16
    2,2,2-trifluoroethanol 18.65
    methyl butyrate 226.15

    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