(1Z,5E,8Z,10E,12R)-5,9-Dimethyl-12-isopropyl-1,5,8,10-cyclotetradecatetrene-1-carboxylic acid

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  • Identifiers

    CAS number
    80489-67-4

    Molecular formula
    C20H30O2

    SMILES
    CC1=CCC=C(C=CC(CCC(=CCC1)C(=O)O)C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 68.05%
    Spicy 62.67%
    Woody 49.67%
    Citrus 38.06%
    Mint 37.81%
    Fresh 33.04%
    Warm 30.22%
    Dry 29.8%
    Fruity 29.31%
    Fatty 28.84%

     

    Flavor
    Spice 52.6%
    Herbal 49.61%
    Woody 41.14%
    Mint 37.82%
    Spicy 37.07%
    Fatty 34.62%
    Minty 31.69%
    Cumin 25.33%
    Fresh 25.25%
    Herb 24.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    9.45 (weak base)

    Molecular weight
    302.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Flash point

    • 185.28 ˚C est.

  • Synonyms

    • (1Z,5E,8Z,10E,12R)-5,9-Dimethyl-12-isopropyl-1,5,8,10-cyclotetradecatetrene-1-carboxylic acid
    • 80489-67-4
    • 80489-67-4

  • Applications

    Chemical name: (1Z,5E,8Z,10E,12R)-5,9-Dimethyl-12-isopropyl-1,5,8,10-cyclotetradecatetrene-1-carboxylic acid; CAS number: 80489-67-4. In real-world applications, this compound is primarily used as an intermediate or building block in specialty organic synthesis, serving as a scaffold for the preparation of chiral or macrocyclic structures and enabling activation at the carboxyl group for amide or ester formation. It is commonly evaluated as a pharmaceutical or agrochemical intermediate and can also act as a precursor for specialty polymers and resin formulations. Additionally, it may be explored as a niche building block for advanced materials and as a starting point for asymmetric synthesis, with applications largely determined by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 313.93
    methanol 209.07
    isopropanol 202.2
    water 0.02
    ethyl acetate 335.8
    n-propanol 329.76
    acetone 153.46
    n-butanol 325.12
    acetonitrile 55.01
    DMF 308.89
    toluene 315.07
    isobutanol 205.1
    1,4-dioxane 398.14
    methyl acetate 185.1
    THF 583.5
    2-butanone 372.34
    n-pentanol 244.82
    sec-butanol 307.16
    n-hexane 37.44
    ethylene glycol 7.01
    NMP 305.52
    cyclohexane 35.61
    DMSO 170.8
    n-butyl acetate 281.9
    n-octanol 67.36
    chloroform 454.71
    n-propyl acetate 199.37
    acetic acid 74.39
    dichloromethane 371.69
    cyclohexanone 406.41
    propylene glycol 34.41
    isopropyl acetate 237.0
    DMAc 515.32
    2-ethoxyethanol 245.83
    isopentanol 280.07
    n-heptane 11.84
    ethyl formate 72.66
    1,2-dichloroethane 309.67
    n-hexanol 266.09
    2-methoxyethanol 289.12
    isobutyl acetate 142.19
    tetrachloromethane 48.68
    n-pentyl acetate 167.33
    transcutol 1362.43
    n-heptanol 108.23
    ethylbenzene 131.05
    MIBK 229.08
    2-propoxyethanol 403.16
    tert-butanol 228.04
    MTBE 445.02
    2-butoxyethanol 227.52
    propionic acid 86.01
    o-xylene 150.59
    formic acid 20.37
    diethyl ether 583.36
    m-xylene 191.95
    p-xylene 128.09
    chlorobenzene 182.55
    dimethyl carbonate 60.16
    n-octane 3.93
    formamide 45.01
    cyclopentanone 316.31
    2-pentanone 363.52
    anisole 241.18
    cyclopentyl methyl ether 388.2
    gamma-butyrolactone 219.56
    1-methoxy-2-propanol 301.98
    pyridine 365.12
    3-pentanone 282.51
    furfural 193.81
    n-dodecane 2.16
    diethylene glycol 130.06
    diisopropyl ether 131.62
    tert-amyl alcohol 298.79
    acetylacetone 217.27
    n-hexadecane 2.61
    acetophenone 179.86
    methyl propionate 241.87
    isopentyl acetate 282.31
    trichloroethylene 498.48
    n-nonanol 66.64
    cyclohexanol 205.04
    benzyl alcohol 165.45
    2-ethylhexanol 136.67
    isooctanol 92.01
    dipropyl ether 179.35
    1,2-dichlorobenzene 142.86
    ethyl lactate 71.28
    propylene carbonate 127.94
    n-methylformamide 91.91
    2-pentanol 255.11
    n-pentane 33.77
    1-propoxy-2-propanol 304.82
    1-methoxy-2-propyl acetate 322.64
    2-(2-methoxypropoxy) propanol 217.49
    mesitylene 101.84
    ε-caprolactone 338.67
    p-cymene 59.02
    epichlorohydrin 449.17
    1,1,1-trichloroethane 199.84
    2-aminoethanol 51.55
    morpholine-4-carbaldehyde 360.15
    sulfolane 251.51
    2,2,4-trimethylpentane 20.67
    2-methyltetrahydrofuran 550.24
    n-hexyl acetate 196.35
    isooctane 15.92
    2-(2-butoxyethoxy)ethanol 343.03
    sec-butyl acetate 184.15
    tert-butyl acetate 263.27
    decalin 23.13
    glycerin 39.15
    diglyme 567.16
    acrylic acid 49.62
    isopropyl myristate 59.53
    n-butyric acid 192.22
    acetyl acetate 96.26
    di(2-ethylhexyl) phthalate 70.93
    ethyl propionate 168.02
    nitromethane 113.17
    1,2-diethoxyethane 448.85
    benzonitrile 121.97
    trioctyl phosphate 43.75
    1-bromopropane 288.41
    gamma-valerolactone 449.29
    n-decanol 43.9
    triethyl phosphate 67.07
    4-methyl-2-pentanol 145.71
    propionitrile 116.03
    vinylene carbonate 105.21
    1,1,2-trichlorotrifluoroethane 214.33
    DMS 127.2
    cumene 80.82
    2-octanol 61.96
    2-hexanone 243.16
    octyl acetate 79.49
    limonene 91.8
    1,2-dimethoxyethane 404.34
    ethyl orthosilicate 79.29
    tributyl phosphate 54.76
    diacetone alcohol 260.25
    N,N-dimethylaniline 170.9
    acrylonitrile 95.46
    aniline 258.03
    1,3-propanediol 110.42
    bromobenzene 186.05
    dibromomethane 273.19
    1,1,2,2-tetrachloroethane 459.52
    2-methyl-cyclohexyl acetate 144.56
    tetrabutyl urea 70.39
    diisobutyl methanol 71.98
    2-phenylethanol 189.72
    styrene 150.15
    dioctyl adipate 95.94
    dimethyl sulfate 82.84
    ethyl butyrate 166.85
    methyl lactate 74.1
    butyl lactate 132.69
    diethyl carbonate 82.75
    propanediol butyl ether 163.66
    triethyl orthoformate 126.62
    p-tert-butyltoluene 60.85
    methyl 4-tert-butylbenzoate 151.77
    morpholine 699.73
    tert-butylamine 159.17
    n-dodecanol 28.61
    dimethoxymethane 309.86
    ethylene carbonate 90.63
    cyrene 150.94
    2-ethoxyethyl acetate 274.0
    2-ethylhexyl acetate 223.0
    1,2,4-trichlorobenzene 183.57
    4-methylpyridine 457.01
    dibutyl ether 99.75
    2,6-dimethyl-4-heptanol 71.98
    DEF 434.66
    dimethyl isosorbide 323.82
    tetrachloroethylene 239.8
    eugenol 156.09
    triacetin 155.01
    span 80 179.79
    1,4-butanediol 39.87
    1,1-dichloroethane 267.19
    2-methyl-1-pentanol 270.11
    methyl formate 40.94
    2-methyl-1-butanol 301.68
    n-decane 4.69
    butyronitrile 161.1
    3,7-dimethyl-1-octanol 91.51
    1-chlorooctane 38.05
    1-chlorotetradecane 10.54
    n-nonane 4.24
    undecane 3.0
    tert-butylcyclohexane 23.59
    cyclooctane 12.45
    cyclopentanol 134.68
    tetrahydropyran 668.55
    tert-amyl methyl ether 349.65
    2,5,8-trioxanonane 340.24
    1-hexene 175.19
    2-isopropoxyethanol 206.5
    2,2,2-trifluoroethanol 15.24
    methyl butyrate 210.63

    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