(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid

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  • Identifiers

    CAS number
    905277-18-1

    Molecular formula
    C12H20O2

    SMILES
    CC1(C2CCC1(C(C2)CC(=O)O)C)C

  • Odor profile

    Fragrance
    Woody 69.32%
    Balsamic 51.32%
    Dry 42.04%
    Amber 36.76%
    Herbal 36.57%
    Pine 36.25%
    Cedar 35.0%
    Spicy 32.84%
    Camphoreous 31.97%
    Fatty 29.72%

     

    Flavor
    Woody 62.85%
    Sweet 35.97%
    Camphor 33.81%
    Herbal 28.72%
    Pine 28.26%
    Balsam 27.06%
    Dry 25.9%
    Green 25.57%
    Odorless 23.31%
    Ionone 22.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.28 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 122.06 ˚C est.

  • Synonyms

    • 905277-18-1
    • bornyl acetic acid
    • SCHEMBL825391
    • (1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid
    • DTXSID90605487

  • Applications

    (1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid, CAS 905277-18-1, is considered an important intermediate in applied chemistry, with real-world uses across fragrance and cosmetics (synthesis of aroma esters and odorants, and acting as a fixative in personal care formulations), in household products (enhancing fragrance in cleaning and laundry products), as a chiral building block for pharmaceutical synthesis, and in industrial manufacturing as an intermediate for specialty chemicals and advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 601.17
    methanol 826.38
    isopropanol 675.2
    water 22.03
    ethyl acetate 994.86
    n-propanol 510.71
    acetone 1454.11
    n-butanol 418.53
    acetonitrile 1175.77
    DMF 2105.2
    toluene 234.29
    isobutanol 394.91
    1,4-dioxane 1708.52
    methyl acetate 1052.43
    THF 2363.29
    2-butanone 913.85
    n-pentanol 183.32
    sec-butanol 360.62
    n-hexane 9.73
    ethylene glycol 272.36
    NMP 871.6
    cyclohexane 27.44
    DMSO 1072.43
    n-butyl acetate 376.51
    n-octanol 102.4
    chloroform 1211.06
    n-propyl acetate 315.75
    acetic acid 473.78
    dichloromethane 1263.95
    cyclohexanone 754.42
    propylene glycol 321.77
    isopropyl acetate 570.87
    DMAc 1062.52
    2-ethoxyethanol 415.85
    isopentanol 358.86
    n-heptane 14.0
    ethyl formate 622.67
    1,2-dichloroethane 827.88
    n-hexanol 300.01
    2-methoxyethanol 1225.87
    isobutyl acetate 196.05
    tetrachloromethane 208.98
    n-pentyl acetate 191.59
    transcutol 789.95
    n-heptanol 131.36
    ethylbenzene 111.84
    MIBK 419.22
    2-propoxyethanol 778.79
    tert-butanol 791.88
    MTBE 492.25
    2-butoxyethanol 328.98
    propionic acid 466.89
    o-xylene 170.01
    formic acid 344.67
    diethyl ether 466.67
    m-xylene 203.21
    p-xylene 208.01
    chlorobenzene 395.48
    dimethyl carbonate 507.91
    n-octane 7.43
    formamide 935.0
    cyclopentanone 1508.21
    2-pentanone 681.66
    anisole 385.08
    cyclopentyl methyl ether 511.42
    gamma-butyrolactone 1784.65
    1-methoxy-2-propanol 1028.08
    pyridine 826.96
    3-pentanone 471.08
    furfural 1119.68
    n-dodecane 7.18
    diethylene glycol 684.09
    diisopropyl ether 140.85
    tert-amyl alcohol 375.72
    acetylacetone 1063.32
    n-hexadecane 8.45
    acetophenone 332.68
    methyl propionate 803.42
    isopentyl acetate 317.43
    trichloroethylene 1346.29
    n-nonanol 99.3
    cyclohexanol 261.92
    benzyl alcohol 268.49
    2-ethylhexanol 135.45
    isooctanol 109.05
    dipropyl ether 182.43
    1,2-dichlorobenzene 361.34
    ethyl lactate 197.54
    propylene carbonate 780.63
    n-methylformamide 1345.27
    2-pentanol 252.47
    n-pentane 15.16
    1-propoxy-2-propanol 453.89
    1-methoxy-2-propyl acetate 583.57
    2-(2-methoxypropoxy) propanol 277.39
    mesitylene 127.55
    ε-caprolactone 630.94
    p-cymene 90.14
    epichlorohydrin 1719.89
    1,1,1-trichloroethane 796.6
    2-aminoethanol 460.57
    morpholine-4-carbaldehyde 1136.4
    sulfolane 1113.77
    2,2,4-trimethylpentane 12.98
    2-methyltetrahydrofuran 972.01
    n-hexyl acetate 237.66
    isooctane 13.56
    2-(2-butoxyethoxy)ethanol 368.44
    sec-butyl acetate 236.4
    tert-butyl acetate 549.32
    decalin 17.27
    glycerin 406.86
    diglyme 758.17
    acrylic acid 416.26
    isopropyl myristate 106.62
    n-butyric acid 546.39
    acetyl acetate 650.62
    di(2-ethylhexyl) phthalate 114.67
    ethyl propionate 352.12
    nitromethane 1765.25
    1,2-diethoxyethane 353.22
    benzonitrile 407.66
    trioctyl phosphate 88.71
    1-bromopropane 280.69
    gamma-valerolactone 1653.43
    n-decanol 79.39
    triethyl phosphate 137.37
    4-methyl-2-pentanol 178.08
    propionitrile 718.57
    vinylene carbonate 764.06
    1,1,2-trichlorotrifluoroethane 690.75
    DMS 354.31
    cumene 88.03
    2-octanol 86.14
    2-hexanone 283.31
    octyl acetate 136.79
    limonene 104.95
    1,2-dimethoxyethane 816.27
    ethyl orthosilicate 121.12
    tributyl phosphate 100.81
    diacetone alcohol 594.75
    N,N-dimethylaniline 218.88
    acrylonitrile 974.05
    aniline 392.21
    1,3-propanediol 617.9
    bromobenzene 372.55
    dibromomethane 604.82
    1,1,2,2-tetrachloroethane 942.47
    2-methyl-cyclohexyl acetate 204.6
    tetrabutyl urea 124.46
    diisobutyl methanol 99.91
    2-phenylethanol 344.04
    styrene 130.93
    dioctyl adipate 139.99
    dimethyl sulfate 671.81
    ethyl butyrate 271.08
    methyl lactate 433.58
    butyl lactate 174.31
    diethyl carbonate 215.95
    propanediol butyl ether 237.73
    triethyl orthoformate 173.19
    p-tert-butyltoluene 97.37
    methyl 4-tert-butylbenzoate 278.42
    morpholine 1474.18
    tert-butylamine 382.29
    n-dodecanol 61.53
    dimethoxymethane 1307.24
    ethylene carbonate 649.92
    cyrene 317.98
    2-ethoxyethyl acetate 358.77
    2-ethylhexyl acetate 217.28
    1,2,4-trichlorobenzene 407.88
    4-methylpyridine 712.49
    dibutyl ether 97.82
    2,6-dimethyl-4-heptanol 99.91
    DEF 569.06
    dimethyl isosorbide 561.45
    tetrachloroethylene 572.47
    eugenol 271.24
    triacetin 263.55
    span 80 225.75
    1,4-butanediol 176.57
    1,1-dichloroethane 868.13
    2-methyl-1-pentanol 153.06
    methyl formate 1163.31
    2-methyl-1-butanol 270.08
    n-decane 10.55
    butyronitrile 591.22
    3,7-dimethyl-1-octanol 113.25
    1-chlorooctane 56.09
    1-chlorotetradecane 26.4
    n-nonane 8.67
    undecane 8.62
    tert-butylcyclohexane 17.27
    cyclooctane 9.73
    cyclopentanol 431.52
    tetrahydropyran 828.77
    tert-amyl methyl ether 267.67
    2,5,8-trioxanonane 487.13
    1-hexene 48.26
    2-isopropoxyethanol 288.66
    2,2,2-trifluoroethanol 397.54
    methyl butyrate 411.4

    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