9,12-Octadecadienoic acid (9Z,12Z)-, isooctyl ester

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  • Identifiers

    CAS number
    67874-38-8

    Molecular formula
    C26H48O2

    SMILES
    CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 66.01%
    Oily 61.5%
    Waxy 53.98%
    Fruity 43.14%
    Sweet 27.89%
    Floral 27.46%
    Herbal 23.65%
    Rose 22.23%
    Balsamic 22.02%
    Green 21.93%

     

    Flavor
    Faint 27.46%
    Waxy 25.89%
    Fatty 23.83%
    Oily 21.26%
    Delicate 21.08%
    Slightly waxy 20.7%
    Diterpene 19.9%
    Low 19.86%
    Oriental 19.33%
    Bay oil 19.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.0

    pKa est.
    7.8 (neutral)

    Molecular weight
    392.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    428°C

    Flash point

    • 199.44 ˚C est.

  • Synonyms

    • Isooctyl linoleate
    • 67874-38-8
    • EINECS 267-467-2
    • 9,12-Octadecadienoic acid (9Z,12Z)-, isooctyl ester
    • DTXSID0070736
    • RefChem:548886
    • DTXCID1045162
    • Isooctyl (9Z,12Z)-octadeca-9,12-dienoate
    • SCHEMBL3653379
    • SHJGZTHMRQYWME-MURFETPASA-N
    • Isooctyl(9Z,12Z)-octadeca-9,12-dienoate
    • NS00036243
    • 67874-38-8

  • Applications

    9,12-Octadecadienoic acid (9Z,12Z)-, isooctyl ester (CAS 67874-38-8) is commonly used as an emollient in cosmetics and personal care products, providing slip and a light, non-greasy feel. It may also function as a plasticizer or processing aid in polymer formulations and can act as a lubricating oil or additive in industrial manufacturing. In formulations, it can serve as a solvent or carrier for fragrances, active ingredients, or other components, and it may be encountered as an intermediate or raw material in chemical synthesis, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.23
    methanol 69.27
    isopropanol 86.34
    water 0.03
    ethyl acetate 487.03
    n-propanol 106.15
    acetone 292.54
    n-butanol 152.9
    acetonitrile 77.24
    DMF 261.69
    toluene 240.68
    isobutanol 108.56
    1,4-dioxane 414.52
    methyl acetate 233.45
    THF 1067.0
    2-butanone 394.74
    n-pentanol 124.0
    sec-butanol 145.9
    n-hexane 59.43
    ethylene glycol 3.08
    NMP 788.27
    cyclohexane 258.46
    DMSO 407.04
    n-butyl acetate 496.74
    n-octanol 124.54
    chloroform 1178.55
    n-propyl acetate 512.41
    acetic acid 113.9
    dichloromethane 1336.64
    cyclohexanone 1126.01
    propylene glycol 13.64
    isopropyl acetate 468.02
    DMAc 695.01
    2-ethoxyethanol 204.48
    isopentanol 202.05
    n-heptane 50.52
    ethyl formate 160.21
    1,2-dichloroethane 887.43
    n-hexanol 114.19
    2-methoxyethanol 181.33
    isobutyl acetate 349.91
    tetrachloromethane 271.98
    n-pentyl acetate 663.57
    transcutol 1422.95
    n-heptanol 116.98
    ethylbenzene 162.54
    MIBK 446.22
    2-propoxyethanol 232.95
    tert-butanol 165.15
    MTBE 402.42
    2-butoxyethanol 274.26
    propionic acid 114.54
    o-xylene 200.34
    formic acid 19.15
    diethyl ether 336.39
    m-xylene 177.35
    p-xylene 222.76
    chlorobenzene 367.95
    dimethyl carbonate 80.28
    n-octane 24.07
    formamide 42.96
    cyclopentanone 891.99
    2-pentanone 474.93
    anisole 330.57
    cyclopentyl methyl ether 670.98
    gamma-butyrolactone 692.61
    1-methoxy-2-propanol 218.62
    pyridine 471.73
    3-pentanone 376.59
    furfural 484.86
    n-dodecane 13.13
    diethylene glycol 67.31
    diisopropyl ether 167.58
    tert-amyl alcohol 243.72
    acetylacetone 540.72
    n-hexadecane 16.43
    acetophenone 384.19
    methyl propionate 293.25
    isopentyl acetate 522.89
    trichloroethylene 1453.23
    n-nonanol 126.75
    cyclohexanol 312.24
    benzyl alcohol 157.85
    2-ethylhexanol 143.51
    isooctanol 134.64
    dipropyl ether 318.31
    1,2-dichlorobenzene 443.85
    ethyl lactate 132.88
    propylene carbonate 425.58
    n-methylformamide 89.48
    2-pentanol 144.96
    n-pentane 41.52
    1-propoxy-2-propanol 276.44
    1-methoxy-2-propyl acetate 482.12
    2-(2-methoxypropoxy) propanol 283.25
    mesitylene 136.61
    ε-caprolactone 966.77
    p-cymene 120.86
    epichlorohydrin 982.79
    1,1,1-trichloroethane 945.99
    2-aminoethanol 19.01
    morpholine-4-carbaldehyde 529.41
    sulfolane 1134.38
    2,2,4-trimethylpentane 49.49
    2-methyltetrahydrofuran 915.45
    n-hexyl acetate 607.95
    isooctane 26.41
    2-(2-butoxyethoxy)ethanol 400.35
    sec-butyl acetate 455.58
    tert-butyl acetate 633.31
    decalin 91.73
    glycerin 21.71
    diglyme 969.89
    acrylic acid 69.3
    isopropyl myristate 183.39
    n-butyric acid 368.34
    acetyl acetate 280.11
    di(2-ethylhexyl) phthalate 141.15
    ethyl propionate 421.72
    nitromethane 271.2
    1,2-diethoxyethane 651.8
    benzonitrile 202.64
    trioctyl phosphate 101.03
    1-bromopropane 538.71
    gamma-valerolactone 1082.34
    n-decanol 77.1
    triethyl phosphate 210.73
    4-methyl-2-pentanol 118.87
    propionitrile 118.73
    vinylene carbonate 301.39
    1,1,2-trichlorotrifluoroethane 509.75
    DMS 246.02
    cumene 118.12
    2-octanol 108.55
    2-hexanone 468.93
    octyl acetate 218.47
    limonene 239.73
    1,2-dimethoxyethane 553.95
    ethyl orthosilicate 235.63
    tributyl phosphate 140.3
    diacetone alcohol 449.83
    N,N-dimethylaniline 232.51
    acrylonitrile 99.26
    aniline 187.62
    1,3-propanediol 58.7
    bromobenzene 482.07
    dibromomethane 849.24
    1,1,2,2-tetrachloroethane 1373.24
    2-methyl-cyclohexyl acetate 418.28
    tetrabutyl urea 222.89
    diisobutyl methanol 116.95
    2-phenylethanol 156.25
    styrene 187.51
    dioctyl adipate 305.9
    dimethyl sulfate 195.43
    ethyl butyrate 468.55
    methyl lactate 96.41
    butyl lactate 327.71
    diethyl carbonate 232.54
    propanediol butyl ether 197.45
    triethyl orthoformate 364.5
    p-tert-butyltoluene 113.05
    methyl 4-tert-butylbenzoate 398.29
    morpholine 573.89
    tert-butylamine 128.43
    n-dodecanol 52.42
    dimethoxymethane 261.87
    ethylene carbonate 295.46
    cyrene 270.85
    2-ethoxyethyl acetate 698.33
    2-ethylhexyl acetate 464.97
    1,2,4-trichlorobenzene 525.47
    4-methylpyridine 529.44
    dibutyl ether 402.54
    2,6-dimethyl-4-heptanol 116.95
    DEF 575.13
    dimethyl isosorbide 653.35
    tetrachloroethylene 813.34
    eugenol 277.56
    triacetin 543.1
    span 80 277.79
    1,4-butanediol 23.11
    1,1-dichloroethane 718.57
    2-methyl-1-pentanol 177.65
    methyl formate 65.84
    2-methyl-1-butanol 185.03
    n-decane 33.02
    butyronitrile 192.35
    3,7-dimethyl-1-octanol 154.24
    1-chlorooctane 170.32
    1-chlorotetradecane 46.64
    n-nonane 31.86
    undecane 19.16
    tert-butylcyclohexane 62.3
    cyclooctane 65.66
    cyclopentanol 221.93
    tetrahydropyran 838.12
    tert-amyl methyl ether 392.19
    2,5,8-trioxanonane 511.71
    1-hexene 152.76
    2-isopropoxyethanol 209.29
    2,2,2-trifluoroethanol 48.37
    methyl butyrate 566.85

    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