Oct-6-enoic acid

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  • Identifiers

    CAS number
    69362-76-1

    Molecular formula
    C8H14O2

    SMILES
    CC=CCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Green 84.15%
    Fatty 78.95%
    Fruity 74.2%
    Waxy 69.48%
    Dairy 57.28%
    Cheesy 46.7%
    Oily 45.26%
    Melon 43.75%
    Milky 36.82%
    Vegetable 36.37%

     

    Flavor
    Fatty 60.17%
    Green 41.97%
    Waxy 40.72%
    Oily 40.41%
    Cheese 32.87%
    Fruity 29.3%
    Rancid 27.56%
    Sour 26.8%
    Fat 25.55%
    Sweat 25.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.27 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    239°C

    Flash point

    • 116.45 ˚C est.

  • Synonyms

    • OCT-6-ENOIC ACID
    • DTXSID50700326
    • 69362-76-1
    • RefChem:1093733
    • DTXCID40651075
    • 6-Octenoic acid
    • SCHEMBL1314571
    • 69362-76-1

  • Applications

    Oct-6-enoic acid is an eight-carbon unsaturated carboxylic acid that is commonly used as a reactive building block in organic synthesis. It is often employed as an intermediate to prepare esters, amides, and other derivatives, enabling downstream transformations for specialty polymers and coatings. The carbon–carbon double bond offers sites for functionalization, making it suitable as a monomer or co-monomer in polymer and coating formulations, including UV-curable systems. It may also serve as a precursor in fragrance and flavor chemistry through esterification and related derivatizations. Additionally, it can act as a starting point for surfactant-related intermediates or cleaning formulation components, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1249.82
    methanol 1522.25
    isopropanol 894.48
    water 1.59
    ethyl acetate 330.22
    n-propanol 755.79
    acetone 910.55
    n-butanol 649.42
    acetonitrile 214.45
    DMF 1437.09
    toluene 69.04
    isobutanol 559.57
    1,4-dioxane 571.52
    methyl acetate 244.76
    THF 1239.18
    2-butanone 402.82
    n-pentanol 530.0
    sec-butanol 561.22
    n-hexane 118.76
    ethylene glycol 327.67
    NMP 831.28
    cyclohexane 39.38
    DMSO 1813.25
    n-butyl acetate 314.84
    n-octanol 218.84
    chloroform 220.01
    n-propyl acetate 249.58
    acetic acid 638.95
    dichloromethane 177.34
    cyclohexanone 538.05
    propylene glycol 519.01
    isopropyl acetate 256.11
    DMAc 642.78
    2-ethoxyethanol 576.33
    isopentanol 564.07
    n-heptane 35.39
    ethyl formate 181.57
    1,2-dichloroethane 190.47
    n-hexanol 568.61
    2-methoxyethanol 941.02
    isobutyl acetate 188.08
    tetrachloromethane 49.13
    n-pentyl acetate 184.89
    transcutol 1579.54
    n-heptanol 220.24
    ethylbenzene 65.3
    MIBK 307.37
    2-propoxyethanol 692.49
    tert-butanol 1108.77
    MTBE 478.5
    2-butoxyethanol 353.94
    propionic acid 486.29
    o-xylene 73.51
    formic acid 260.0
    diethyl ether 315.2
    m-xylene 99.56
    p-xylene 82.03
    chlorobenzene 98.68
    dimethyl carbonate 97.06
    n-octane 14.51
    formamide 286.28
    cyclopentanone 781.43
    2-pentanone 458.83
    anisole 181.79
    cyclopentyl methyl ether 523.92
    gamma-butyrolactone 741.96
    1-methoxy-2-propanol 847.37
    pyridine 239.37
    3-pentanone 218.07
    furfural 419.09
    n-dodecane 11.75
    diethylene glycol 536.3
    diisopropyl ether 130.3
    tert-amyl alcohol 672.42
    acetylacetone 432.73
    n-hexadecane 12.92
    acetophenone 163.14
    methyl propionate 281.92
    isopentyl acetate 294.09
    trichloroethylene 304.58
    n-nonanol 178.95
    cyclohexanol 443.93
    benzyl alcohol 191.36
    2-ethylhexanol 268.63
    isooctanol 180.07
    dipropyl ether 216.93
    1,2-dichlorobenzene 100.35
    ethyl lactate 148.37
    propylene carbonate 330.21
    n-methylformamide 547.06
    2-pentanol 453.99
    n-pentane 47.2
    1-propoxy-2-propanol 522.16
    1-methoxy-2-propyl acetate 316.38
    2-(2-methoxypropoxy) propanol 326.03
    mesitylene 76.79
    ε-caprolactone 425.24
    p-cymene 51.76
    epichlorohydrin 581.22
    1,1,1-trichloroethane 175.07
    2-aminoethanol 656.15
    morpholine-4-carbaldehyde 609.4
    sulfolane 1031.11
    2,2,4-trimethylpentane 32.57
    2-methyltetrahydrofuran 761.76
    n-hexyl acetate 297.96
    isooctane 36.73
    2-(2-butoxyethoxy)ethanol 494.7
    sec-butyl acetate 173.98
    tert-butyl acetate 339.5
    decalin 36.26
    glycerin 554.37
    diglyme 661.83
    acrylic acid 353.79
    isopropyl myristate 105.79
    n-butyric acid 623.62
    acetyl acetate 146.77
    di(2-ethylhexyl) phthalate 113.82
    ethyl propionate 196.86
    nitromethane 585.2
    1,2-diethoxyethane 344.03
    benzonitrile 167.25
    trioctyl phosphate 92.76
    1-bromopropane 136.96
    gamma-valerolactone 743.64
    n-decanol 132.14
    triethyl phosphate 84.1
    4-methyl-2-pentanol 276.57
    propionitrile 229.55
    vinylene carbonate 228.44
    1,1,2-trichlorotrifluoroethane 446.75
    DMS 153.11
    cumene 63.95
    2-octanol 153.54
    2-hexanone 352.56
    octyl acetate 140.87
    limonene 91.84
    1,2-dimethoxyethane 666.87
    ethyl orthosilicate 90.99
    tributyl phosphate 109.7
    diacetone alcohol 517.76
    N,N-dimethylaniline 149.16
    acrylonitrile 250.61
    aniline 178.78
    1,3-propanediol 698.58
    bromobenzene 83.93
    dibromomethane 145.33
    1,1,2,2-tetrachloroethane 328.84
    2-methyl-cyclohexyl acetate 169.46
    tetrabutyl urea 147.28
    diisobutyl methanol 149.55
    2-phenylethanol 208.12
    styrene 73.66
    dioctyl adipate 157.54
    dimethyl sulfate 202.64
    ethyl butyrate 175.17
    methyl lactate 236.48
    butyl lactate 198.75
    diethyl carbonate 101.78
    propanediol butyl ether 447.34
    triethyl orthoformate 134.07
    p-tert-butyltoluene 57.99
    methyl 4-tert-butylbenzoate 194.92
    morpholine 818.29
    tert-butylamine 614.41
    n-dodecanol 96.48
    dimethoxymethane 512.05
    ethylene carbonate 194.55
    cyrene 251.12
    2-ethoxyethyl acetate 232.49
    2-ethylhexyl acetate 205.57
    1,2,4-trichlorobenzene 128.13
    4-methylpyridine 277.56
    dibutyl ether 187.39
    2,6-dimethyl-4-heptanol 149.55
    DEF 442.77
    dimethyl isosorbide 454.45
    tetrachloroethylene 214.45
    eugenol 214.07
    triacetin 222.26
    span 80 328.44
    1,4-butanediol 325.55
    1,1-dichloroethane 195.61
    2-methyl-1-pentanol 428.13
    methyl formate 281.65
    2-methyl-1-butanol 477.99
    n-decane 19.82
    butyronitrile 314.59
    3,7-dimethyl-1-octanol 208.02
    1-chlorooctane 87.37
    1-chlorotetradecane 33.04
    n-nonane 20.57
    undecane 14.76
    tert-butylcyclohexane 48.82
    cyclooctane 16.8
    cyclopentanol 637.34
    tetrahydropyran 598.68
    tert-amyl methyl ether 316.58
    2,5,8-trioxanonane 484.54
    1-hexene 299.82
    2-isopropoxyethanol 436.33
    2,2,2-trifluoroethanol 143.82
    methyl butyrate 277.97

    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