2-(1-Hydroxypentyl)cyclohex-2-ene-1-carboxylic acid

  • Identifiers

    Molecular formula
    C12H20O3

    SMILES
    CCCCC(C1=CCCCC1C(=O)O)O

  • Odor profile

    Fragrance
    Herbal 41.79%
    Mint 38.99%
    Fruity 37.92%
    Cooling 33.39%
    Odorless 29.64%
    Sweet 27.88%
    Lactonic 26.41%
    Spicy 23.75%
    Balsamic 21.57%
    Jasmin 20.71%

     

    Flavor
    Odorless 31.85%
    Fatty 26.02%
    Herbal 23.0%
    Mild 20.94%
    Leaves 20.23%
    Oily 19.84%
    Cedarleaf 19.78%
    Linalool 19.64%
    Lovage 19.26%
    Cultured dairy 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.48 (neutral)

    Molecular weight
    212.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 173.75 ˚C est.

  • Applications

    2-(1-Hydroxypentyl)cyclohex-2-ene-1-carboxylic acid is a synthetic intermediate with multiple industrial applications; specifically, it is commonly used as a precursor in the synthesis of fragrance compounds for perfumery, can serve as an intermediate in cosmetics and personal-care formulations, may act as a precursor in pharmaceutical synthesis, and can serve as a building block for polymer and plastic production after functional modification.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 777.26
    methanol 1279.12
    isopropanol 714.02
    water 0.41
    ethyl acetate 176.6
    n-propanol 632.72
    acetone 353.8
    n-butanol 481.56
    acetonitrile 128.51
    DMF 1034.13
    toluene 69.92
    isobutanol 397.31
    1,4-dioxane 452.87
    methyl acetate 150.34
    THF 605.74
    2-butanone 235.17
    n-pentanol 276.76
    sec-butanol 395.26
    n-hexane 8.74
    ethylene glycol 148.58
    NMP 369.22
    cyclohexane 13.21
    DMSO 1039.88
    n-butyl acetate 184.62
    n-octanol 89.92
    chloroform 210.52
    n-propyl acetate 116.2
    acetic acid 235.14
    dichloromethane 175.06
    cyclohexanone 343.7
    propylene glycol 195.51
    isopropyl acetate 154.1
    DMAc 536.53
    2-ethoxyethanol 330.99
    isopentanol 369.29
    n-heptane 3.36
    ethyl formate 117.03
    1,2-dichloroethane 217.18
    n-hexanol 305.88
    2-methoxyethanol 684.57
    isobutyl acetate 94.69
    tetrachloromethane 27.53
    n-pentyl acetate 97.39
    transcutol 624.03
    n-heptanol 114.64
    ethylbenzene 45.94
    MIBK 172.87
    2-propoxyethanol 410.27
    tert-butanol 682.74
    MTBE 300.05
    2-butoxyethanol 206.28
    propionic acid 185.22
    o-xylene 60.24
    formic acid 127.31
    diethyl ether 199.12
    m-xylene 75.07
    p-xylene 50.42
    chlorobenzene 95.23
    dimethyl carbonate 64.31
    n-octane 3.11
    formamide 166.97
    cyclopentanone 374.34
    2-pentanone 241.58
    anisole 105.12
    cyclopentyl methyl ether 218.84
    gamma-butyrolactone 334.03
    1-methoxy-2-propanol 508.21
    pyridine 220.15
    3-pentanone 121.89
    furfural 259.71
    n-dodecane 3.66
    diethylene glycol 318.88
    diisopropyl ether 59.2
    tert-amyl alcohol 371.5
    acetylacetone 217.47
    n-hexadecane 4.21
    acetophenone 103.62
    methyl propionate 152.48
    isopentyl acetate 178.27
    trichloroethylene 310.31
    n-nonanol 76.47
    cyclohexanol 246.12
    benzyl alcohol 131.18
    2-ethylhexanol 113.79
    isooctanol 89.52
    dipropyl ether 67.06
    1,2-dichlorobenzene 86.18
    ethyl lactate 70.74
    propylene carbonate 170.11
    n-methylformamide 334.66
    2-pentanol 266.36
    n-pentane 8.06
    1-propoxy-2-propanol 245.58
    1-methoxy-2-propyl acetate 168.34
    2-(2-methoxypropoxy) propanol 137.35
    mesitylene 49.55
    ε-caprolactone 242.69
    p-cymene 30.83
    epichlorohydrin 388.66
    1,1,1-trichloroethane 119.41
    2-aminoethanol 330.58
    morpholine-4-carbaldehyde 372.45
    sulfolane 443.31
    2,2,4-trimethylpentane 8.2
    2-methyltetrahydrofuran 322.89
    n-hexyl acetate 123.6
    isooctane 8.6
    2-(2-butoxyethoxy)ethanol 224.54
    sec-butyl acetate 87.11
    tert-butyl acetate 170.38
    decalin 11.12
    glycerin 244.27
    diglyme 340.95
    acrylic acid 136.87
    isopropyl myristate 46.63
    n-butyric acid 307.1
    acetyl acetate 83.6
    di(2-ethylhexyl) phthalate 54.24
    ethyl propionate 85.63
    nitromethane 251.11
    1,2-diethoxyethane 160.15
    benzonitrile 111.88
    trioctyl phosphate 45.67
    1-bromopropane 103.12
    gamma-valerolactone 454.94
    n-decanol 57.07
    triethyl phosphate 42.88
    4-methyl-2-pentanol 144.93
    propionitrile 145.06
    vinylene carbonate 143.79
    1,1,2-trichlorotrifluoroethane 256.03
    DMS 83.81
    cumene 36.4
    2-octanol 73.45
    2-hexanone 131.29
    octyl acetate 62.22
    limonene 44.32
    1,2-dimethoxyethane 407.04
    ethyl orthosilicate 43.43
    tributyl phosphate 46.23
    diacetone alcohol 249.62
    N,N-dimethylaniline 79.95
    acrylonitrile 166.33
    aniline 140.94
    1,3-propanediol 455.4
    bromobenzene 81.15
    dibromomethane 121.94
    1,1,2,2-tetrachloroethane 299.53
    2-methyl-cyclohexyl acetate 79.89
    tetrabutyl urea 67.29
    diisobutyl methanol 62.56
    2-phenylethanol 135.3
    styrene 52.07
    dioctyl adipate 63.23
    dimethyl sulfate 109.25
    ethyl butyrate 84.82
    methyl lactate 116.33
    butyl lactate 99.99
    diethyl carbonate 52.63
    propanediol butyl ether 184.5
    triethyl orthoformate 63.33
    p-tert-butyltoluene 31.81
    methyl 4-tert-butylbenzoate 103.43
    morpholine 606.4
    tert-butylamine 317.13
    n-dodecanol 42.41
    dimethoxymethane 395.9
    ethylene carbonate 134.12
    cyrene 133.78
    2-ethoxyethyl acetate 128.63
    2-ethylhexyl acetate 118.01
    1,2,4-trichlorobenzene 97.77
    4-methylpyridine 215.56
    dibutyl ether 57.85
    2,6-dimethyl-4-heptanol 62.56
    DEF 247.95
    dimethyl isosorbide 201.95
    tetrachloroethylene 180.48
    eugenol 117.39
    triacetin 86.2
    span 80 128.52
    1,4-butanediol 171.32
    1,1-dichloroethane 176.66
    2-methyl-1-pentanol 209.36
    methyl formate 182.45
    2-methyl-1-butanol 303.63
    n-decane 5.62
    butyronitrile 182.93
    3,7-dimethyl-1-octanol 82.16
    1-chlorooctane 34.7
    1-chlorotetradecane 13.9
    n-nonane 4.66
    undecane 4.42
    tert-butylcyclohexane 10.29
    cyclooctane 4.7
    cyclopentanol 277.67
    tetrahydropyran 385.47
    tert-amyl methyl ether 160.54
    2,5,8-trioxanonane 229.49
    1-hexene 52.77
    2-isopropoxyethanol 211.52
    2,2,2-trifluoroethanol 67.55
    methyl butyrate 132.71

    Scent© AI

1 of 3
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