Methyl 2-norbornanecarboxylate

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  • Identifiers

    CAS number
    35520-81-1

    Molecular formula
    C9H14O2

    SMILES
    COC(=O)C1CC2CCC1C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 90.41%
    Floral 62.43%
    Green 61.4%
    Sweet 48.66%
    Woody 41.32%
    Fresh 37.89%
    Jasmin 36.25%
    Herbal 34.4%
    Rose 33.17%
    Tropical 31.0%

     

    Flavor
    Fruity 60.31%
    Fruit 39.69%
    Bitter 31.72%
    Pineapple 24.94%
    Floral 24.54%
    Berry 24.29%
    Cheese 22.71%
    Plant 22.4%
    Oily 22.15%
    Tropical 22.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.69 (neutral)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 85.28 ˚C est.

  • Synonyms

    • Methyl bicyclo[2.2.1]heptane-2-carboxylate
    • 35520-81-1
    • METHYL NORBORNANE-2-CARBOXYLATE
    • METHYL 2-NORBORNANECARBOXYLATE
    • Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester
    • SCHEMBL1105066
    • DTXSID20294060
    • BWGIKEUGPCOETD-UHFFFAOYSA-N
    • HMS1781A08
    • KBA52081
    • NSC93923
    • NSC-93923
    • AKOS001177277
    • AKOS017281073
    • 2-Norbornanecarboxylic acid, methyl ester
    • EN300-15347
    • G49508
    • Methyl bicyclo[2.2.1]heptane-2-carboxylate #
    • 623-000-8

  • Applications

    Methyl 2-norbornanecarboxylate (CAS 35520-81-1) is an organic synthesis intermediate used as a rigid bicyclic framework to prepare complex norbornane derivatives, commonly as a starting point for the synthesis of compounds used in pharmaceutical and agrochemical research or converted into monomers or precursors for advanced polymer materials; because of its norbornane scaffold, it also serves as a precursor for norbornene-type derivatives used to make polymers by ROMP and other specialty materials for coatings and adhesives; it also functions as a useful chiral building block for the synthesis of ligands and catalysts in asymmetric synthesis, supporting research in pharmaceuticals and related chemical industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 922.65
    methanol 1107.21
    isopropanol 983.44
    water 24.31
    ethyl acetate 450.34
    n-propanol 773.77
    acetone 707.37
    n-butanol 656.87
    acetonitrile 792.46
    DMF 936.3
    toluene 302.21
    isobutanol 630.84
    1,4-dioxane 990.8
    methyl acetate 561.59
    THF 996.98
    2-butanone 581.49
    n-pentanol 427.79
    sec-butanol 699.98
    n-hexane 26.48
    ethylene glycol 382.28
    NMP 576.12
    cyclohexane 61.48
    DMSO 585.68
    n-butyl acetate 335.24
    n-octanol 288.98
    chloroform 2964.91
    n-propyl acetate 328.41
    acetic acid 923.88
    dichloromethane 1945.17
    cyclohexanone 730.17
    propylene glycol 501.02
    isopropyl acetate 305.48
    DMAc 531.19
    2-ethoxyethanol 572.4
    isopentanol 517.96
    n-heptane 26.81
    ethyl formate 547.71
    1,2-dichloroethane 779.91
    n-hexanol 400.33
    2-methoxyethanol 933.88
    isobutyl acetate 227.45
    tetrachloromethane 334.3
    n-pentyl acetate 254.93
    transcutol 1073.82
    n-heptanol 268.57
    ethylbenzene 188.35
    MIBK 302.95
    2-propoxyethanol 638.68
    tert-butanol 730.38
    MTBE 379.95
    2-butoxyethanol 454.68
    propionic acid 655.83
    o-xylene 220.1
    formic acid 470.53
    diethyl ether 318.21
    m-xylene 237.17
    p-xylene 279.58
    chlorobenzene 546.4
    dimethyl carbonate 220.91
    n-octane 19.78
    formamide 586.55
    cyclopentanone 833.66
    2-pentanone 422.82
    anisole 384.81
    cyclopentyl methyl ether 366.8
    gamma-butyrolactone 969.44
    1-methoxy-2-propanol 700.86
    pyridine 916.5
    3-pentanone 275.28
    furfural 1019.07
    n-dodecane 24.16
    diethylene glycol 603.31
    diisopropyl ether 113.44
    tert-amyl alcohol 505.73
    acetylacetone 474.85
    n-hexadecane 26.94
    acetophenone 369.28
    methyl propionate 360.67
    isopentyl acetate 318.21
    trichloroethylene 1799.43
    n-nonanol 236.37
    cyclohexanol 491.98
    benzyl alcohol 415.87
    2-ethylhexanol 211.47
    isooctanol 225.27
    dipropyl ether 151.97
    1,2-dichlorobenzene 494.03
    ethyl lactate 244.46
    propylene carbonate 670.69
    n-methylformamide 739.77
    2-pentanol 411.5
    n-pentane 38.03
    1-propoxy-2-propanol 421.78
    1-methoxy-2-propyl acetate 322.25
    2-(2-methoxypropoxy) propanol 356.37
    mesitylene 161.26
    ε-caprolactone 663.75
    p-cymene 132.71
    epichlorohydrin 1076.36
    1,1,1-trichloroethane 852.96
    2-aminoethanol 643.54
    morpholine-4-carbaldehyde 735.4
    sulfolane 821.6
    2,2,4-trimethylpentane 31.45
    2-methyltetrahydrofuran 603.19
    n-hexyl acetate 399.29
    isooctane 33.48
    2-(2-butoxyethoxy)ethanol 479.9
    sec-butyl acetate 221.88
    tert-butyl acetate 294.57
    decalin 42.04
    glycerin 573.85
    diglyme 784.14
    acrylic acid 644.4
    isopropyl myristate 154.86
    n-butyric acid 767.99
    acetyl acetate 318.34
    di(2-ethylhexyl) phthalate 178.37
    ethyl propionate 267.09
    nitromethane 1073.82
    1,2-diethoxyethane 310.21
    benzonitrile 637.7
    trioctyl phosphate 131.25
    1-bromopropane 463.84
    gamma-valerolactone 1008.96
    n-decanol 177.48
    triethyl phosphate 135.94
    4-methyl-2-pentanol 256.3
    propionitrile 651.8
    vinylene carbonate 713.33
    1,1,2-trichlorotrifluoroethane 866.67
    DMS 292.66
    cumene 156.19
    2-octanol 197.63
    2-hexanone 311.56
    octyl acetate 200.57
    limonene 150.07
    1,2-dimethoxyethane 687.31
    ethyl orthosilicate 122.72
    tributyl phosphate 140.43
    diacetone alcohol 389.53
    N,N-dimethylaniline 243.72
    acrylonitrile 900.04
    aniline 440.03
    1,3-propanediol 725.4
    bromobenzene 548.0
    dibromomethane 1224.69
    1,1,2,2-tetrachloroethane 1385.87
    2-methyl-cyclohexyl acetate 213.79
    tetrabutyl urea 168.24
    diisobutyl methanol 146.25
    2-phenylethanol 372.1
    styrene 221.85
    dioctyl adipate 208.37
    dimethyl sulfate 298.51
    ethyl butyrate 244.24
    methyl lactate 314.14
    butyl lactate 253.38
    diethyl carbonate 205.39
    propanediol butyl ether 462.16
    triethyl orthoformate 178.95
    p-tert-butyltoluene 125.59
    methyl 4-tert-butylbenzoate 368.25
    morpholine 949.0
    tert-butylamine 423.2
    n-dodecanol 138.47
    dimethoxymethane 481.96
    ethylene carbonate 560.55
    cyrene 328.2
    2-ethoxyethyl acetate 310.8
    2-ethylhexyl acetate 218.3
    1,2,4-trichlorobenzene 566.17
    4-methylpyridine 717.08
    dibutyl ether 176.99
    2,6-dimethyl-4-heptanol 146.25
    DEF 376.26
    dimethyl isosorbide 461.48
    tetrachloroethylene 903.12
    eugenol 375.63
    triacetin 353.6
    span 80 340.22
    1,4-butanediol 363.94
    1,1-dichloroethane 1121.91
    2-methyl-1-pentanol 351.89
    methyl formate 589.19
    2-methyl-1-butanol 477.33
    n-decane 36.1
    butyronitrile 673.83
    3,7-dimethyl-1-octanol 252.13
    1-chlorooctane 158.03
    1-chlorotetradecane 67.74
    n-nonane 33.67
    undecane 28.6
    tert-butylcyclohexane 40.89
    cyclooctane 22.9
    cyclopentanol 576.13
    tetrahydropyran 640.65
    tert-amyl methyl ether 227.68
    2,5,8-trioxanonane 502.95
    1-hexene 125.1
    2-isopropoxyethanol 405.02
    2,2,2-trifluoroethanol 424.28
    methyl butyrate 380.75

    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