Kolavenic Acid

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  • Identifiers

    CAS number
    25436-90-2

    Molecular formula
    C20H32O2

    SMILES
    C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/C(=O)O)/C)CCC=C2C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.8%
    Sweet 48.28%
    Dry 42.99%
    Amber 42.55%
    Powdery 39.62%
    Balsamic 38.94%
    Sandalwood 38.38%
    Waxy 35.89%
    Floral 33.69%
    Musk 32.57%

     

    Flavor
    Woody 73.37%
    Sweet 34.76%
    Wood 33.77%
    Floral 31.52%
    Dry 30.84%
    Herbal 28.71%
    Amber 26.54%
    Violet 25.65%
    Green 25.25%
    Orris 25.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    8.17 (weak base)

    Molecular weight
    304.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    412°C

    Flash point

    • 190.63 ˚C est.

  • Synonyms

    • Kolavenic acid
    • 25436-90-2
    • (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
    • DTXSID601349346
    • (E)-5-((1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-enoic acid
    • RefChem:151370
    • DTXCID201778345
    • MLS000574890
    • SMR000156255
    • Cleroda-3,13E-dien-15-oic acid
    • CHEMBL1517738
    • BDBM68055
    • cid_6441458
    • REGID_for_CID_6441458
    • HMS2218L20
    • NCGC00247604-01
    • (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-2-pentenoic acid
    • (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enoic acid
    • 2-Pentenoic acid, 3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-, (1S-(1alpha(E),2beta,4abeta,8aalpha))-
    • 25436-90-2

  • Applications

    Kolavenic Acid (CAS 25436-90-2) is regarded as a chemical synthesis intermediate and a building block for specialty chemicals; in the fragrance and cosmetics sectors, it may serve as a fragrance ingredient or precursor to aroma compounds; in pharmaceutical research, it is evaluated as an intermediate in medicinal chemistry for the synthesis of derivatives; in polymers and coatings, it holds potential as a building block or functional additive for specialty polymers or resin formulations; and in agricultural research, it is studied as a starting material for agrochemical candidates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.66
    methanol 94.69
    isopropanol 158.73
    water 0.04
    ethyl acetate 164.99
    n-propanol 222.3
    acetone 162.52
    n-butanol 163.52
    acetonitrile 51.79
    DMF 385.31
    toluene 215.35
    isobutanol 130.66
    1,4-dioxane 430.9
    methyl acetate 116.44
    THF 1140.63
    2-butanone 241.56
    n-pentanol 77.9
    sec-butanol 121.64
    n-hexane 8.53
    ethylene glycol 5.8
    NMP 162.14
    cyclohexane 18.5
    DMSO 117.4
    n-butyl acetate 120.62
    n-octanol 38.11
    chloroform 301.25
    n-propyl acetate 79.31
    acetic acid 25.99
    dichloromethane 212.25
    cyclohexanone 279.03
    propylene glycol 19.32
    isopropyl acetate 130.23
    DMAc 247.27
    2-ethoxyethanol 111.72
    isopentanol 114.29
    n-heptane 5.3
    ethyl formate 44.46
    1,2-dichloroethane 169.54
    n-hexanol 135.48
    2-methoxyethanol 187.17
    isobutyl acetate 68.57
    tetrachloromethane 42.57
    n-pentyl acetate 94.77
    transcutol 423.57
    n-heptanol 60.99
    ethylbenzene 67.09
    MIBK 130.84
    2-propoxyethanol 249.59
    tert-butanol 166.87
    MTBE 240.53
    2-butoxyethanol 133.29
    propionic acid 45.78
    o-xylene 94.56
    formic acid 8.71
    diethyl ether 286.74
    m-xylene 131.21
    p-xylene 75.78
    chlorobenzene 116.39
    dimethyl carbonate 57.93
    n-octane 2.36
    formamide 22.69
    cyclopentanone 379.11
    2-pentanone 204.64
    anisole 135.73
    cyclopentyl methyl ether 316.99
    gamma-butyrolactone 245.96
    1-methoxy-2-propanol 225.59
    pyridine 262.38
    3-pentanone 153.26
    furfural 133.0
    n-dodecane 1.46
    diethylene glycol 91.62
    diisopropyl ether 59.56
    tert-amyl alcohol 114.73
    acetylacetone 148.4
    n-hexadecane 1.82
    acetophenone 94.1
    methyl propionate 148.04
    isopentyl acetate 126.01
    trichloroethylene 273.88
    n-nonanol 39.53
    cyclohexanol 123.16
    benzyl alcohol 79.59
    2-ethylhexanol 60.76
    isooctanol 48.91
    dipropyl ether 83.41
    1,2-dichlorobenzene 93.37
    ethyl lactate 41.29
    propylene carbonate 88.9
    n-methylformamide 103.78
    2-pentanol 104.62
    n-pentane 10.88
    1-propoxy-2-propanol 187.61
    1-methoxy-2-propyl acetate 195.79
    2-(2-methoxypropoxy) propanol 102.77
    mesitylene 66.52
    ε-caprolactone 186.55
    p-cymene 37.81
    epichlorohydrin 340.83
    1,1,1-trichloroethane 150.12
    2-aminoethanol 37.97
    morpholine-4-carbaldehyde 243.08
    sulfolane 199.78
    2,2,4-trimethylpentane 6.04
    2-methyltetrahydrofuran 450.03
    n-hexyl acetate 106.2
    isooctane 6.33
    2-(2-butoxyethoxy)ethanol 150.1
    sec-butyl acetate 75.66
    tert-butyl acetate 150.44
    decalin 8.85
    glycerin 25.07
    diglyme 267.66
    acrylic acid 26.71
    isopropyl myristate 37.03
    n-butyric acid 92.58
    acetyl acetate 57.87
    di(2-ethylhexyl) phthalate 39.93
    ethyl propionate 81.24
    nitromethane 69.59
    1,2-diethoxyethane 156.67
    benzonitrile 80.85
    trioctyl phosphate 29.63
    1-bromopropane 144.84
    gamma-valerolactone 401.44
    n-decanol 26.8
    triethyl phosphate 39.75
    4-methyl-2-pentanol 62.56
    propionitrile 102.81
    vinylene carbonate 78.83
    1,1,2-trichlorotrifluoroethane 117.93
    DMS 86.48
    cumene 43.78
    2-octanol 37.06
    2-hexanone 93.72
    octyl acetate 47.6
    limonene 44.61
    1,2-dimethoxyethane 230.53
    ethyl orthosilicate 42.0
    tributyl phosphate 31.52
    diacetone alcohol 148.78
    N,N-dimethylaniline 87.94
    acrylonitrile 89.21
    aniline 163.25
    1,3-propanediol 68.96
    bromobenzene 124.46
    dibromomethane 149.29
    1,1,2,2-tetrachloroethane 236.62
    2-methyl-cyclohexyl acetate 75.31
    tetrabutyl urea 46.36
    diisobutyl methanol 37.0
    2-phenylethanol 119.77
    styrene 70.18
    dioctyl adipate 50.93
    dimethyl sulfate 76.12
    ethyl butyrate 71.41
    methyl lactate 54.56
    butyl lactate 74.05
    diethyl carbonate 42.41
    propanediol butyl ether 96.96
    triethyl orthoformate 64.02
    p-tert-butyltoluene 39.99
    methyl 4-tert-butylbenzoate 101.89
    morpholine 623.59
    tert-butylamine 105.87
    n-dodecanol 17.47
    dimethoxymethane 337.17
    ethylene carbonate 76.77
    cyrene 89.51
    2-ethoxyethyl acetate 147.41
    2-ethylhexyl acetate 98.09
    1,2,4-trichlorobenzene 108.73
    4-methylpyridine 268.6
    dibutyl ether 49.01
    2,6-dimethyl-4-heptanol 37.0
    DEF 160.81
    dimethyl isosorbide 186.45
    tetrachloroethylene 128.57
    eugenol 100.06
    triacetin 91.2
    span 80 85.77
    1,4-butanediol 20.33
    1,1-dichloroethane 180.88
    2-methyl-1-pentanol 65.33
    methyl formate 47.65
    2-methyl-1-butanol 109.17
    n-decane 3.31
    butyronitrile 111.11
    3,7-dimethyl-1-octanol 45.3
    1-chlorooctane 23.01
    1-chlorotetradecane 6.67
    n-nonane 2.82
    undecane 2.1
    tert-butylcyclohexane 8.45
    cyclooctane 5.83
    cyclopentanol 137.92
    tetrahydropyran 624.22
    tert-amyl methyl ether 128.11
    2,5,8-trioxanonane 146.38
    1-hexene 42.7
    2-isopropoxyethanol 91.38
    2,2,2-trifluoroethanol 13.45
    methyl butyrate 87.62

    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