2-Pentenoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-

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  • Identifiers

    CAS number
    73590-17-7

    Molecular formula
    C15H22O2

    SMILES
    CC(=CCCC1(C2CCC(C2)C1=C)C)C(=O)O

  • Odor profile

    Woody 76.05%
    Dry 37.41%
    Amber 36.81%
    Sandalwood 35.28%
    Green 35.06%
    Balsamic 32.26%
    Sweet 31.13%
    Cedar 30.75%
    Fatty 30.58%
    Powdery 30.27%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.28 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point est.
    151.94 ˚C

  • Synonyms

    • 2-Pentenoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-
    • 73590-17-7
    • DTXSID401144209

  • Applications

    In practice, 2-Pentenoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)- (CAS 73590-17-7) is mainly used as a specialty intermediate in organic and fragrance chemistry: its unsaturated carboxylic acid enables esterification, amidation, and coupling to access esters/amides with terpenoid-like odor profiles while tuning volatility and substantivity; the rigid, hydrophobic bicyclic scaffold is leveraged as a molecular “framework” to build research compounds (ligands, pharma/agro leads) for structure–activity studies and optimization of permeability and selectivity; the C=C and acid also serve as handles for derivatization and surface attachment (epoxidation, hydroboration–oxidation, metathesis, polymer coupling), supporting use in resin modification or as a precursor to monomers/additives for UV‑curable coatings, inks, and adhesives; it can further serve as a reference/tracer in GC–MS/LC–MS method development when profiling terpenoid derivatives; any commercial use should be checked for regulatory fit (e.g., IFRA, REACH) and supported by supplier safety data for the intended market.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4629.05
    methanol 4723.46
    isopropanol 4861.52
    water 3.42
    ethyl acetate 3915.61
    n-propanol 3924.28
    acetone 2967.55
    n-butanol 3212.38
    acetonitrile 1276.6
    DMF 4265.48
    toluene 796.48
    isobutanol 2417.65
    1,4-dioxane 5815.28
    methyl acetate 2200.72
    THF 6815.1
    2-butanone 2759.97
    n-pentanol 928.89
    sec-butanol 2124.32
    n-hexane 44.66
    ethylene glycol 379.2
    NMP 553.78
    cyclohexane 84.08
    DMSO 1461.19
    n-butyl acetate 1122.95
    n-octanol 115.54
    chloroform 2296.39
    n-propyl acetate 977.64
    acetic acid 1016.66
    dichloromethane 1655.24
    cyclohexanone 1570.6
    propylene glycol 626.39
    isopropyl acetate 2731.98
    DMAc 1943.73
    2-ethoxyethanol 2453.77
    isopentanol 2288.74
    n-heptane 13.68
    ethyl formate 1047.51
    1,2-dichloroethane 1598.83
    n-hexanol 942.21
    2-methoxyethanol 5831.48
    isobutyl acetate 617.88
    tetrachloromethane 313.86
    n-pentyl acetate 407.2
    transcutol 5643.17
    n-heptanol 250.84
    ethylbenzene 255.74
    MIBK 1597.64
    2-propoxyethanol 2765.9
    tert-butanol 5038.06
    MTBE 6113.61
    2-butoxyethanol 877.72
    propionic acid 942.73
    o-xylene 356.24
    formic acid 597.38
    diethyl ether 5656.9
    m-xylene 562.8
    p-xylene 291.11
    chlorobenzene 606.6
    dimethyl carbonate 955.13
    n-octane 6.23
    formamide 1679.74
    cyclopentanone 1740.0
    2-pentanone 2784.63
    anisole 1027.29
    cyclopentyl methyl ether 2279.66
    gamma-butyrolactone 1780.78
    1-methoxy-2-propanol 4682.65
    pyridine 1697.07
    3-pentanone 1420.16
    furfural 1162.57
    n-dodecane 4.59
    diethylene glycol 1849.0
    diisopropyl ether 1074.39
    tert-amyl alcohol 2398.29
    acetylacetone 2145.96
    n-hexadecane 5.48
    acetophenone 498.41
    methyl propionate 2383.79
    isopentyl acetate 1107.49
    trichloroethylene 2195.88
    n-nonanol 123.51
    cyclohexanol 1114.18
    benzyl alcohol 622.59
    2-ethylhexanol 293.37
    isooctanol 213.94
    dipropyl ether 573.47
    1,2-dichlorobenzene 436.01
    ethyl lactate 358.32
    propylene carbonate 840.28
    n-methylformamide 2568.16
    2-pentanol 1783.54
    n-pentane 91.52
    1-propoxy-2-propanol 1490.49
    1-methoxy-2-propyl acetate 2076.27
    2-(2-methoxypropoxy) propanol 683.14
    mesitylene 310.0
    ε-caprolactone 1398.77
    p-cymene 99.31
    epichlorohydrin 3033.71
    1,1,1-trichloroethane 1275.87
    2-aminoethanol 1332.53
    morpholine-4-carbaldehyde 2005.78
    sulfolane 991.69
    2,2,4-trimethylpentane 44.0
    2-methyltetrahydrofuran 3256.66
    n-hexyl acetate 405.5
    isooctane 61.94
    2-(2-butoxyethoxy)ethanol 1211.32
    sec-butyl acetate 930.08
    tert-butyl acetate 2762.04
    decalin 32.7
    glycerin 760.82
    diglyme 2458.98
    acrylic acid 535.61
    isopropyl myristate 151.64
    n-butyric acid 2055.44
    acetyl acetate 1092.43
    di(2-ethylhexyl) phthalate 138.4
    ethyl propionate 961.83
    nitromethane 1941.66
    1,2-diethoxyethane 2202.01
    benzonitrile 526.9
    trioctyl phosphate 93.53
    1-bromopropane 1003.6
    gamma-valerolactone 2941.2
    n-decanol 89.75
    triethyl phosphate 201.46
    4-methyl-2-pentanol 997.89
    propionitrile 1455.04
    vinylene carbonate 758.08
    1,1,2-trichlorotrifluoroethane 1205.66
    DMS 608.18
    cumene 156.85
    2-octanol 128.69
    2-hexanone 785.76
    octyl acetate 172.88
    limonene 136.32
    1,2-dimethoxyethane 3723.4
    ethyl orthosilicate 236.83
    tributyl phosphate 139.19
    diacetone alcohol 2218.7
    N,N-dimethylaniline 430.06
    acrylonitrile 1254.47
    aniline 1340.59
    1,3-propanediol 2926.98
    bromobenzene 520.19
    dibromomethane 1051.66
    1,1,2,2-tetrachloroethane 1854.42
    2-methyl-cyclohexyl acetate 326.95
    tetrabutyl urea 137.84
    diisobutyl methanol 241.43
    2-phenylethanol 664.29
    styrene 317.44
    dioctyl adipate 185.89
    dimethyl sulfate 739.03
    ethyl butyrate 578.06
    methyl lactate 772.84
    butyl lactate 339.79
    diethyl carbonate 344.93
    propanediol butyl ether 532.75
    triethyl orthoformate 425.96
    p-tert-butyltoluene 128.32
    methyl 4-tert-butylbenzoate 376.1
    morpholine 7095.13
    tert-butylamine 2611.61
    n-dodecanol 66.24
    dimethoxymethane 5753.91
    ethylene carbonate 852.0
    cyrene 373.75
    2-ethoxyethyl acetate 1056.05
    2-ethylhexyl acetate 616.26
    1,2,4-trichlorobenzene 477.74
    4-methylpyridine 1848.63
    dibutyl ether 280.16
    2,6-dimethyl-4-heptanol 241.43
    DEF 1894.53
    dimethyl isosorbide 939.32
    tetrachloroethylene 1102.65
    eugenol 386.22
    triacetin 434.31
    span 80 422.45
    1,4-butanediol 502.68
    1,1-dichloroethane 2007.32
    2-methyl-1-pentanol 758.83
    methyl formate 1153.91
    2-methyl-1-butanol 1563.1
    n-decane 7.83
    butyronitrile 1686.6
    3,7-dimethyl-1-octanol 216.73
    1-chlorooctane 52.31
    1-chlorotetradecane 21.35
    n-nonane 6.73
    undecane 5.77
    tert-butylcyclohexane 41.09
    cyclooctane 22.26
    cyclopentanol 1182.75
    tetrahydropyran 5193.14
    tert-amyl methyl ether 2150.59
    2,5,8-trioxanonane 1256.24
    1-hexene 237.35
    2-isopropoxyethanol 1512.29
    2,2,2-trifluoroethanol 467.92
    methyl butyrate 1017.4

    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

Botanical

Name CAS Botanical Proportion
Sandalwood, indian (India) 1 8006-87-9 Santalum album L., fam. Santalaceae 0.05%