Ximenynic acid

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  • Identifiers

    CAS number
    557-58-4

    Molecular formula
    C18H30O2

    SMILES
    CCCCCC/C=C/C#CCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 60.28%
    Waxy 53.03%
    Green 43.57%
    Citrus 40.8%
    Oily 38.71%
    Floral 34.75%
    Fresh 32.19%
    Fruity 31.15%
    Meaty 30.0%
    Aldehydic 29.94%

     

    Flavor
    Faint 28.63%
    Bland 25.37%
    Fatty 25.3%
    Odorless 25.2%
    Mild 23.49%
    Slightly waxy 21.5%
    Delicate 20.48%
    Bay oil 20.2%
    Diterpene 19.86%
    Oriental 19.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    6.4 (neutral)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Flash point

    • 201.67 ˚C est.

  • Synonyms

    • Ximenynic acid
    • Ximeninic acid
    • Santalbic acid
    • 557-58-4
    • (E)-Octadec-11-en-9-ynoic acid
    • Xymenynic acid
    • trans-11-Octadecen-9-ynoic acid
    • 11E-octadecen-9-ynoic acid
    • IA0Z48P13W
    • HYDROR IL
    • NSC-252625
    • DTXSID501317249
    • RefChem:195361
    • DTXCID60909121
    • 209-179-1
    • 11-octadecen-9-ynoic acid
    • Agonandoic acid
    • 11-Octadecen-9-ynoic acid, (E)-
    • (11E)-octadec-11-en-9-ynoic acid
    • NSC252625
    • UNII-IA0Z48P13W
    • EINECS 209-179-1
    • NSC 252625
    • Ximeninic acid, AldrichCPR
    • SCHEMBL40759
    • 11(E)-Octadecen-9-ynoic acid
    • CHEMBL1967321
    • XYMENYNIC ACID [WHO-DD]
    • CHEBI:165495
    • VENIIVIRETXKSV-BQYQJAHWSA-N
    • trans-11-octa-decen-9-ynoic acid
    • LMFA01030560
    • FX66713
    • 11-Octadecen-9-ynoic acid, (11E)-
    • NS00005230
    • Q27280625
    • 557-58-4

  • Applications

    Ximenynic acid, an unsaturated fatty acid derived from ximenia seed oil, is mainly used as a chemical intermediate and building block for ester derivatives in several industries. In cosmetics and personal care, it acts as an emollient fatty acid and a basis oil for creams, balms, and lip products, with potential conversion to ester forms to improve lubrication and skin feel. In industrial manufacturing, it serves as a feedstock for specialty esters, lubricants, and plasticizers. In coatings and inks, it can be employed as a drying oil component or resin modifier to influence film formation and gloss. It is also evaluated as a precursor for polymeric and resin systems, and may be used as a component in fragrance formulations or carrier matrices in niche perfumery applications, subject to formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 818.88
    methanol 1020.17
    isopropanol 497.15
    water 0.04
    ethyl acetate 461.01
    n-propanol 507.46
    acetone 821.11
    n-butanol 450.26
    acetonitrile 178.53
    DMF 1073.12
    toluene 111.47
    isobutanol 331.31
    1,4-dioxane 507.62
    methyl acetate 276.73
    THF 1486.2
    2-butanone 533.07
    n-pentanol 378.16
    sec-butanol 345.82
    n-hexane 61.2
    ethylene glycol 59.46
    NMP 736.22
    cyclohexane 75.29
    DMSO 2231.44
    n-butyl acetate 425.48
    n-octanol 130.89
    chloroform 506.86
    n-propyl acetate 482.01
    acetic acid 296.69
    dichloromethane 583.92
    cyclohexanone 877.46
    propylene glycol 154.48
    isopropyl acetate 376.34
    DMAc 856.73
    2-ethoxyethanol 616.09
    isopentanol 409.1
    n-heptane 27.73
    ethyl formate 210.9
    1,2-dichloroethane 590.55
    n-hexanol 292.4
    2-methoxyethanol 880.63
    isobutyl acetate 305.8
    tetrachloromethane 88.88
    n-pentyl acetate 328.95
    transcutol 2114.16
    n-heptanol 136.66
    ethylbenzene 90.12
    MIBK 446.39
    2-propoxyethanol 551.93
    tert-butanol 537.04
    MTBE 455.41
    2-butoxyethanol 361.83
    propionic acid 260.33
    o-xylene 90.65
    formic acid 102.72
    diethyl ether 494.87
    m-xylene 100.89
    p-xylene 106.77
    chlorobenzene 161.26
    dimethyl carbonate 109.23
    n-octane 11.81
    formamide 222.76
    cyclopentanone 925.75
    2-pentanone 653.37
    anisole 227.82
    cyclopentyl methyl ether 634.6
    gamma-butyrolactone 711.03
    1-methoxy-2-propanol 765.19
    pyridine 355.77
    3-pentanone 330.34
    furfural 516.82
    n-dodecane 8.68
    diethylene glycol 327.66
    diisopropyl ether 149.94
    tert-amyl alcohol 395.59
    acetylacetone 632.38
    n-hexadecane 10.15
    acetophenone 260.08
    methyl propionate 338.83
    isopentyl acetate 386.75
    trichloroethylene 736.55
    n-nonanol 118.01
    cyclohexanol 386.87
    benzyl alcohol 196.64
    2-ethylhexanol 187.25
    isooctanol 133.14
    dipropyl ether 289.16
    1,2-dichlorobenzene 177.63
    ethyl lactate 178.35
    propylene carbonate 367.36
    n-methylformamide 390.01
    2-pentanol 307.5
    n-pentane 32.6
    1-propoxy-2-propanol 464.51
    1-methoxy-2-propyl acetate 423.68
    2-(2-methoxypropoxy) propanol 301.43
    mesitylene 75.18
    ε-caprolactone 634.85
    p-cymene 61.91
    epichlorohydrin 902.48
    1,1,1-trichloroethane 345.89
    2-aminoethanol 244.23
    morpholine-4-carbaldehyde 668.44
    sulfolane 1233.28
    2,2,4-trimethylpentane 23.39
    2-methyltetrahydrofuran 817.39
    n-hexyl acetate 383.45
    isooctane 20.03
    2-(2-butoxyethoxy)ethanol 478.94
    sec-butyl acetate 312.79
    tert-butyl acetate 473.43
    decalin 37.08
    glycerin 196.31
    diglyme 958.05
    acrylic acid 156.09
    isopropyl myristate 121.35
    n-butyric acid 522.7
    acetyl acetate 206.64
    di(2-ethylhexyl) phthalate 106.0
    ethyl propionate 336.73
    nitromethane 562.81
    1,2-diethoxyethane 597.48
    benzonitrile 185.07
    trioctyl phosphate 84.93
    1-bromopropane 337.88
    gamma-valerolactone 1070.61
    n-decanol 82.48
    triethyl phosphate 125.59
    4-methyl-2-pentanol 188.57
    propionitrile 183.58
    vinylene carbonate 263.73
    1,1,2-trichlorotrifluoroethane 581.01
    DMS 205.36
    cumene 72.69
    2-octanol 104.55
    2-hexanone 510.47
    octyl acetate 149.47
    limonene 112.56
    1,2-dimethoxyethane 865.3
    ethyl orthosilicate 136.06
    tributyl phosphate 114.83
    diacetone alcohol 549.8
    N,N-dimethylaniline 173.13
    acrylonitrile 178.53
    aniline 166.15
    1,3-propanediol 395.96
    bromobenzene 169.84
    dibromomethane 398.26
    1,1,2,2-tetrachloroethane 725.35
    2-methyl-cyclohexyl acetate 241.36
    tetrabutyl urea 165.56
    diisobutyl methanol 115.38
    2-phenylethanol 183.32
    styrene 110.41
    dioctyl adipate 198.17
    dimethyl sulfate 246.13
    ethyl butyrate 310.88
    methyl lactate 197.61
    butyl lactate 263.75
    diethyl carbonate 156.44
    propanediol butyl ether 349.47
    triethyl orthoformate 222.07
    p-tert-butyltoluene 63.47
    methyl 4-tert-butylbenzoate 238.78
    morpholine 921.33
    tert-butylamine 291.03
    n-dodecanol 59.98
    dimethoxymethane 677.82
    ethylene carbonate 247.93
    cyrene 264.67
    2-ethoxyethyl acetate 427.44
    2-ethylhexyl acetate 284.55
    1,2,4-trichlorobenzene 204.05
    4-methylpyridine 364.51
    dibutyl ether 262.99
    2,6-dimethyl-4-heptanol 115.38
    DEF 598.2
    dimethyl isosorbide 494.73
    tetrachloroethylene 435.37
    eugenol 231.59
    triacetin 336.64
    span 80 278.24
    1,4-butanediol 151.8
    1,1-dichloroethane 405.47
    2-methyl-1-pentanol 308.77
    methyl formate 198.17
    2-methyl-1-butanol 336.49
    n-decane 17.37
    butyronitrile 284.81
    3,7-dimethyl-1-octanol 150.51
    1-chlorooctane 94.81
    1-chlorotetradecane 30.09
    n-nonane 17.0
    undecane 11.54
    tert-butylcyclohexane 34.7
    cyclooctane 20.65
    cyclopentanol 388.74
    tetrahydropyran 828.06
    tert-amyl methyl ether 325.26
    2,5,8-trioxanonane 548.05
    1-hexene 216.49
    2-isopropoxyethanol 432.41
    2,2,2-trifluoroethanol 78.05
    methyl butyrate 492.1

    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