7-[(1R,2S)-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    41692-24-4

    Molecular formula
    C22H36O4

    SMILES
    CCCCC(C)(C)[C@@H](C=C[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O

  • Odor profile

    Fragrance
    Woody 40.57%
    Herbal 33.94%
    Spicy 29.58%
    Odorless 27.74%
    Mint 26.55%
    Lactonic 26.13%
    Cooling 25.29%
    Milky 23.0%
    Oily 22.89%
    Fresh 22.76%

     

    Flavor
    Herbal 41.82%
    Bitter 34.57%
    Floral 24.94%
    Green 23.2%
    Oily 21.89%
    Woody 21.63%
    Fresh 21.51%
    Mild 21.25%
    Odorless 20.55%
    Cedarleaf 20.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.01 (neutral)

    Molecular weight
    364.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    503°C

    Flash point

    • 228.4 ˚C est.

  • Synonyms

    • 41692-24-4

  • Applications

    7-[(1R,2S)-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid (CAS 41692-24-4) is a chiral terpenoid-like carboxylic acid typically handled as a specialty chemical intermediate. In practice, it is commonly evaluated as a building block in fragrance and cosmetic chemistry, where its terpene-derived framework can contribute to scent profiles and enable esterification to form fragrance materials; it can also serve as a starting material for the synthesis of fine chemicals and pharmaceutical intermediates. Additionally, due to its rigid cyclic/tethered structure and carboxylic acid functionality, it may be explored as a precursor or additive in polymer, coating, and ink formulations, acting as a specialty monomer or processing aid. Regulatory status and formulation constraints will govern its actual use in any given application.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 510.54
    methanol 439.03
    isopropanol 332.43
    water 0.11
    ethyl acetate 211.35
    n-propanol 296.14
    acetone 319.28
    n-butanol 235.12
    acetonitrile 39.84
    DMF 415.7
    toluene 43.47
    isobutanol 173.39
    1,4-dioxane 299.79
    methyl acetate 143.46
    THF 914.18
    2-butanone 242.92
    n-pentanol 154.74
    sec-butanol 223.62
    n-hexane 4.37
    ethylene glycol 15.77
    NMP 251.23
    cyclohexane 6.59
    DMSO 476.44
    n-butyl acetate 129.9
    n-octanol 59.24
    chloroform 185.49
    n-propyl acetate 134.96
    acetic acid 161.02
    dichloromethane 155.07
    cyclohexanone 257.68
    propylene glycol 61.14
    isopropyl acetate 194.22
    DMAc 550.56
    2-ethoxyethanol 346.4
    isopentanol 196.41
    n-heptane 2.21
    ethyl formate 72.03
    1,2-dichloroethane 132.2
    n-hexanol 129.16
    2-methoxyethanol 484.31
    isobutyl acetate 106.51
    tetrachloromethane 22.98
    n-pentyl acetate 107.62
    transcutol 889.21
    n-heptanol 72.51
    ethylbenzene 32.17
    MIBK 182.73
    2-propoxyethanol 345.67
    tert-butanol 321.33
    MTBE 243.99
    2-butoxyethanol 208.59
    propionic acid 103.45
    o-xylene 35.42
    formic acid 58.45
    diethyl ether 192.61
    m-xylene 39.93
    p-xylene 35.82
    chlorobenzene 48.15
    dimethyl carbonate 64.95
    n-octane 1.97
    formamide 99.37
    cyclopentanone 307.3
    2-pentanone 248.86
    anisole 95.99
    cyclopentyl methyl ether 208.73
    gamma-butyrolactone 276.76
    1-methoxy-2-propanol 474.78
    pyridine 126.33
    3-pentanone 135.27
    furfural 171.39
    n-dodecane 1.84
    diethylene glycol 183.05
    diisopropyl ether 47.99
    tert-amyl alcohol 215.39
    acetylacetone 260.81
    n-hexadecane 2.1
    acetophenone 97.89
    methyl propionate 156.42
    isopentyl acetate 145.79
    trichloroethylene 225.48
    n-nonanol 59.14
    cyclohexanol 133.67
    benzyl alcohol 94.94
    2-ethylhexanol 58.01
    isooctanol 62.37
    dipropyl ether 53.65
    1,2-dichlorobenzene 50.36
    ethyl lactate 76.33
    propylene carbonate 149.64
    n-methylformamide 145.17
    2-pentanol 147.84
    n-pentane 3.95
    1-propoxy-2-propanol 221.51
    1-methoxy-2-propyl acetate 206.68
    2-(2-methoxypropoxy) propanol 176.85
    mesitylene 25.35
    ε-caprolactone 245.57
    p-cymene 19.87
    epichlorohydrin 354.64
    1,1,1-trichloroethane 106.51
    2-aminoethanol 94.74
    morpholine-4-carbaldehyde 319.98
    sulfolane 336.33
    2,2,4-trimethylpentane 5.75
    2-methyltetrahydrofuran 360.41
    n-hexyl acetate 137.7
    isooctane 4.53
    2-(2-butoxyethoxy)ethanol 293.88
    sec-butyl acetate 117.48
    tert-butyl acetate 224.28
    decalin 6.36
    glycerin 82.29
    diglyme 465.01
    acrylic acid 64.17
    isopropyl myristate 46.95
    n-butyric acid 208.05
    acetyl acetate 92.49
    di(2-ethylhexyl) phthalate 56.7
    ethyl propionate 104.6
    nitromethane 212.03
    1,2-diethoxyethane 206.72
    benzonitrile 55.85
    trioctyl phosphate 39.84
    1-bromopropane 76.98
    gamma-valerolactone 440.78
    n-decanol 40.31
    triethyl phosphate 43.53
    4-methyl-2-pentanol 95.12
    propionitrile 52.31
    vinylene carbonate 99.01
    1,1,2-trichlorotrifluoroethane 221.06
    DMS 91.05
    cumene 25.16
    2-octanol 46.09
    2-hexanone 134.18
    octyl acetate 64.01
    limonene 30.53
    1,2-dimethoxyethane 390.58
    ethyl orthosilicate 48.47
    tributyl phosphate 47.25
    diacetone alcohol 282.31
    N,N-dimethylaniline 69.61
    acrylonitrile 50.28
    aniline 74.75
    1,3-propanediol 193.94
    bromobenzene 43.94
    dibromomethane 94.15
    1,1,2,2-tetrachloroethane 219.4
    2-methyl-cyclohexyl acetate 86.42
    tetrabutyl urea 61.13
    diisobutyl methanol 35.26
    2-phenylethanol 97.87
    styrene 33.15
    dioctyl adipate 77.42
    dimethyl sulfate 115.33
    ethyl butyrate 82.79
    methyl lactate 104.53
    butyl lactate 105.97
    diethyl carbonate 48.04
    propanediol butyl ether 177.81
    triethyl orthoformate 66.73
    p-tert-butyltoluene 20.22
    methyl 4-tert-butylbenzoate 122.45
    morpholine 500.21
    tert-butylamine 124.72
    n-dodecanol 26.76
    dimethoxymethane 429.34
    ethylene carbonate 92.89
    cyrene 142.95
    2-ethoxyethyl acetate 188.17
    2-ethylhexyl acetate 96.36
    1,2,4-trichlorobenzene 68.45
    4-methylpyridine 126.24
    dibutyl ether 56.36
    2,6-dimethyl-4-heptanol 35.26
    DEF 212.21
    dimethyl isosorbide 256.14
    tetrachloroethylene 123.72
    eugenol 119.77
    triacetin 142.47
    span 80 142.97
    1,4-butanediol 65.58
    1,1-dichloroethane 126.7
    2-methyl-1-pentanol 135.88
    methyl formate 81.89
    2-methyl-1-butanol 166.39
    n-decane 3.63
    butyronitrile 74.13
    3,7-dimethyl-1-octanol 65.27
    1-chlorooctane 23.92
    1-chlorotetradecane 7.94
    n-nonane 3.04
    undecane 2.48
    tert-butylcyclohexane 6.0
    cyclooctane 2.53
    cyclopentanol 151.51
    tetrahydropyran 329.3
    tert-amyl methyl ether 162.35
    2,5,8-trioxanonane 295.25
    1-hexene 26.75
    2-isopropoxyethanol 253.24
    2,2,2-trifluoroethanol 51.14
    methyl butyrate 136.71

    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