Sedanonic acid

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  • Identifiers

    CAS number
    6697-07-0

    Molecular formula
    C12H18O3

    SMILES
    CCCCC(=O)C1CCCC=C1C(=O)O

  • Odor profile

    Fragrance
    Fruity 44.17%
    Herbal 42.99%
    Mint 32.13%
    Green 31.78%
    Jasmin 26.46%
    Cooling 24.39%
    Lactonic 23.61%
    Caramellic 23.49%
    Metallic 21.11%
    Spicy 20.84%

     

    Flavor
    Odorless 25.92%
    Leaves 20.07%
    Basil 19.41%
    Valerian 19.32%
    Maple syrup 19.25%
    Lovage 19.19%
    Broccoli 19.08%
    Fenugreek 18.74%
    Seedy 18.69%
    Extremely sweet 18.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.04 (neutral)

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Melting point expt.

    • 113 °C

    Flash point

    • 170.27 ˚C est.

  • Synonyms

    • Sedanonic acid
    • 6697-07-0
    • 6-pentanoylcyclohexene-1-carboxylic acid
    • 6-PENTANOYLCYCLOHEX-1-ENE-1-CARBOXYLIC ACID
    • CHEBI:142275
    • DTXSID80494564
    • 6-(1-oxopentyl)-1-cyclohexene-1-carboxylic acid
    • DTXCID80445374
    • PD118949
    • 6-(1-Oxopentyl)-1-cyclohexene-1-carboxylic acid, 9CI

  • Applications

    Sedanonic acid, CAS 6697-07-0, is an aliphatic dicarboxylic acid used primarily as an intermediate in organic synthesis and as a building block for polymer precursors. In industrial manufacturing it is employed as a monomer or co-monomer for the production of aliphatic polyesters and polyurethanes, enabling tuned flexibility and chain length. It may function as a processing aid, plasticizer, or formulation additive in polymers and coatings to improve processability and performance. In coatings and inks, it can serve as a resin modifier or crosslinking component under suitable curing conditions. It is also evaluated as a chemical intermediate for specialty cleaning formulations and other formulated products, depending on formulation requirements and local regulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1084.34
    methanol 1491.38
    isopropanol 936.29
    water 0.31
    ethyl acetate 266.57
    n-propanol 867.26
    acetone 544.92
    n-butanol 714.17
    acetonitrile 241.99
    DMF 2041.57
    toluene 160.03
    isobutanol 560.48
    1,4-dioxane 466.97
    methyl acetate 263.48
    THF 599.72
    2-butanone 449.58
    n-pentanol 359.21
    sec-butanol 643.56
    n-hexane 7.87
    ethylene glycol 138.98
    NMP 689.16
    cyclohexane 12.2
    DMSO 1223.32
    n-butyl acetate 260.29
    n-octanol 90.4
    chloroform 469.54
    n-propyl acetate 163.02
    acetic acid 298.86
    dichloromethane 441.76
    cyclohexanone 560.76
    propylene glycol 204.05
    isopropyl acetate 213.31
    DMAc 941.29
    2-ethoxyethanol 380.03
    isopentanol 499.67
    n-heptane 2.13
    ethyl formate 188.58
    1,2-dichloroethane 467.21
    n-hexanol 318.89
    2-methoxyethanol 833.62
    isobutyl acetate 122.18
    tetrachloromethane 39.49
    n-pentyl acetate 134.46
    transcutol 705.5
    n-heptanol 115.17
    ethylbenzene 82.33
    MIBK 239.29
    2-propoxyethanol 447.43
    tert-butanol 745.73
    MTBE 365.26
    2-butoxyethanol 228.91
    propionic acid 265.64
    o-xylene 106.16
    formic acid 149.14
    diethyl ether 290.93
    m-xylene 121.26
    p-xylene 90.28
    chlorobenzene 211.5
    dimethyl carbonate 104.92
    n-octane 2.34
    formamide 239.97
    cyclopentanone 558.86
    2-pentanone 388.28
    anisole 173.68
    cyclopentyl methyl ether 273.75
    gamma-butyrolactone 497.14
    1-methoxy-2-propanol 632.63
    pyridine 426.3
    3-pentanone 214.67
    furfural 410.59
    n-dodecane 3.35
    diethylene glycol 330.45
    diisopropyl ether 65.74
    tert-amyl alcohol 531.15
    acetylacetone 307.92
    n-hexadecane 3.98
    acetophenone 166.65
    methyl propionate 271.3
    isopentyl acetate 247.07
    trichloroethylene 661.98
    n-nonanol 79.24
    cyclohexanol 352.83
    benzyl alcohol 215.55
    2-ethylhexanol 125.5
    isooctanol 93.02
    dipropyl ether 67.11
    1,2-dichlorobenzene 175.49
    ethyl lactate 90.95
    propylene carbonate 258.17
    n-methylformamide 615.69
    2-pentanol 383.22
    n-pentane 7.88
    1-propoxy-2-propanol 263.67
    1-methoxy-2-propyl acetate 217.36
    2-(2-methoxypropoxy) propanol 160.58
    mesitylene 66.45
    ε-caprolactone 396.12
    p-cymene 40.2
    epichlorohydrin 632.11
    1,1,1-trichloroethane 236.32
    2-aminoethanol 363.84
    morpholine-4-carbaldehyde 556.15
    sulfolane 649.99
    2,2,4-trimethylpentane 8.84
    2-methyltetrahydrofuran 417.77
    n-hexyl acetate 163.23
    isooctane 7.79
    2-(2-butoxyethoxy)ethanol 250.26
    sec-butyl acetate 122.76
    tert-butyl acetate 227.82
    decalin 12.86
    glycerin 235.16
    diglyme 394.33
    acrylic acid 201.58
    isopropyl myristate 56.92
    n-butyric acid 433.17
    acetyl acetate 123.21
    di(2-ethylhexyl) phthalate 69.15
    ethyl propionate 127.65
    nitromethane 413.51
    1,2-diethoxyethane 197.54
    benzonitrile 206.05
    trioctyl phosphate 51.85
    1-bromopropane 224.5
    gamma-valerolactone 671.85
    n-decanol 58.96
    triethyl phosphate 53.25
    4-methyl-2-pentanol 169.45
    propionitrile 268.89
    vinylene carbonate 246.95
    1,1,2-trichlorotrifluoroethane 353.77
    DMS 123.71
    cumene 53.76
    2-octanol 79.33
    2-hexanone 194.6
    octyl acetate 75.61
    limonene 57.56
    1,2-dimethoxyethane 483.52
    ethyl orthosilicate 51.99
    tributyl phosphate 57.74
    diacetone alcohol 310.4
    N,N-dimethylaniline 118.24
    acrylonitrile 349.05
    aniline 273.08
    1,3-propanediol 514.38
    bromobenzene 190.22
    dibromomethane 300.16
    1,1,2,2-tetrachloroethane 569.56
    2-methyl-cyclohexyl acetate 98.92
    tetrabutyl urea 82.44
    diisobutyl methanol 65.67
    2-phenylethanol 187.87
    styrene 109.43
    dioctyl adipate 78.43
    dimethyl sulfate 175.87
    ethyl butyrate 111.12
    methyl lactate 156.33
    butyl lactate 124.8
    diethyl carbonate 70.64
    propanediol butyl ether 208.45
    triethyl orthoformate 75.86
    p-tert-butyltoluene 40.34
    methyl 4-tert-butylbenzoate 132.86
    morpholine 753.87
    tert-butylamine 331.95
    n-dodecanol 43.64
    dimethoxymethane 539.37
    ethylene carbonate 213.24
    cyrene 162.07
    2-ethoxyethyl acetate 171.97
    2-ethylhexyl acetate 162.6
    1,2,4-trichlorobenzene 197.23
    4-methylpyridine 470.74
    dibutyl ether 68.33
    2,6-dimethyl-4-heptanol 65.67
    DEF 463.67
    dimethyl isosorbide 239.11
    tetrachloroethylene 309.47
    eugenol 154.26
    triacetin 113.16
    span 80 137.13
    1,4-butanediol 188.66
    1,1-dichloroethane 394.75
    2-methyl-1-pentanol 291.22
    methyl formate 288.72
    2-methyl-1-butanol 478.2
    n-decane 4.96
    butyronitrile 314.59
    3,7-dimethyl-1-octanol 94.99
    1-chlorooctane 39.26
    1-chlorotetradecane 15.73
    n-nonane 3.87
    undecane 4.04
    tert-butylcyclohexane 11.76
    cyclooctane 3.73
    cyclopentanol 375.84
    tetrahydropyran 490.09
    tert-amyl methyl ether 228.11
    2,5,8-trioxanonane 255.39
    1-hexene 72.13
    2-isopropoxyethanol 245.5
    2,2,2-trifluoroethanol 89.21
    methyl butyrate 205.59

    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