[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate

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  • Identifiers

    CAS number
    26927-90-2

    Molecular formula
    C17H22O2

    SMILES
    C[C@]12CC[C@H](C1(C)C)CC2OC(=O)C3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 77.43%
    Herbal 76.39%
    Woody 65.97%
    Pine 49.82%
    Green 44.95%
    Camphoreous 42.75%
    Spicy 35.22%
    Amber 34.79%
    Cedar 34.46%
    Fresh 33.6%

     

    Flavor
    Herbal 49.17%
    Woody 49.05%
    Bitter 48.09%
    Balsam 44.32%
    Camphor 39.01%
    Pine 29.32%
    Ripe apricot 21.91%
    Fir 21.69%
    Heather 21.58%
    Red fruit 21.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    5.98 (weak acid)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 125.27 ˚C est.

  • Synonyms

    • 26927-90-2
    • 26927-90-2

  • Applications

    [(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate (CAS 26927-90-2) is primarily used as a fragrance ingredient and fixative, contributing to aroma profiles and extending scent retention in perfumery. It is commonly evaluated for cosmetic and personal care applications as a scented ingredient, and it can be incorporated into household products such as air fresheners and cleaners to provide lasting fragrance. In coatings and inks, it may serve as a fragrance additive or carrier, helping impart odor characteristics without altering performance. The compound can also function as an intermediate in the synthesis of fragrance materials in industrial manufacturing, subject to formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 940.95
    methanol 959.83
    isopropanol 763.8
    water 4.56
    ethyl acetate 2318.01
    n-propanol 865.13
    acetone 1605.23
    n-butanol 771.9
    acetonitrile 1258.47
    DMF 2187.39
    toluene 1127.41
    isobutanol 608.69
    1,4-dioxane 3146.75
    methyl acetate 2014.05
    THF 2112.53
    2-butanone 1738.12
    n-pentanol 331.4
    sec-butanol 611.71
    n-hexane 58.93
    ethylene glycol 142.37
    NMP 666.71
    cyclohexane 161.89
    DMSO 673.22
    n-butyl acetate 896.56
    n-octanol 165.61
    chloroform 3783.14
    n-propyl acetate 961.35
    acetic acid 639.93
    dichloromethane 3066.78
    cyclohexanone 1386.88
    propylene glycol 203.09
    isopropyl acetate 1440.88
    DMAc 1770.7
    2-ethoxyethanol 889.26
    isopentanol 679.86
    n-heptane 37.45
    ethyl formate 825.79
    1,2-dichloroethane 2097.28
    n-hexanol 485.78
    2-methoxyethanol 1492.49
    isobutyl acetate 641.79
    tetrachloromethane 431.43
    n-pentyl acetate 472.85
    transcutol 3022.12
    n-heptanol 219.39
    ethylbenzene 557.02
    MIBK 916.68
    2-propoxyethanol 1222.05
    tert-butanol 864.05
    MTBE 1299.95
    2-butoxyethanol 606.46
    propionic acid 626.89
    o-xylene 561.76
    formic acid 331.1
    diethyl ether 1643.61
    m-xylene 655.53
    p-xylene 867.16
    chlorobenzene 1242.84
    dimethyl carbonate 898.06
    n-octane 19.85
    formamide 1078.94
    cyclopentanone 1342.25
    2-pentanone 1266.39
    anisole 1309.0
    cyclopentyl methyl ether 895.71
    gamma-butyrolactone 1382.01
    1-methoxy-2-propanol 1184.73
    pyridine 2064.54
    3-pentanone 1113.99
    furfural 1341.05
    n-dodecane 18.17
    diethylene glycol 739.75
    diisopropyl ether 512.21
    tert-amyl alcohol 616.04
    acetylacetone 1799.8
    n-hexadecane 22.16
    acetophenone 888.07
    methyl propionate 1559.24
    isopentyl acetate 899.62
    trichloroethylene 3587.35
    n-nonanol 181.8
    cyclohexanol 494.4
    benzyl alcohol 640.67
    2-ethylhexanol 256.12
    isooctanol 198.74
    dipropyl ether 444.96
    1,2-dichlorobenzene 1098.55
    ethyl lactate 342.19
    propylene carbonate 881.41
    n-methylformamide 1259.61
    2-pentanol 502.05
    n-pentane 73.59
    1-propoxy-2-propanol 704.16
    1-methoxy-2-propyl acetate 1283.65
    2-(2-methoxypropoxy) propanol 629.17
    mesitylene 402.89
    ε-caprolactone 1179.39
    p-cymene 206.07
    epichlorohydrin 2302.45
    1,1,1-trichloroethane 1943.18
    2-aminoethanol 422.86
    morpholine-4-carbaldehyde 1560.19
    sulfolane 796.23
    2,2,4-trimethylpentane 47.71
    2-methyltetrahydrofuran 1395.21
    n-hexyl acetate 549.37
    isooctane 49.79
    2-(2-butoxyethoxy)ethanol 867.61
    sec-butyl acetate 848.62
    tert-butyl acetate 1370.91
    decalin 89.34
    glycerin 279.63
    diglyme 1896.64
    acrylic acid 501.11
    isopropyl myristate 253.62
    n-butyric acid 948.61
    acetyl acetate 1352.12
    di(2-ethylhexyl) phthalate 207.73
    ethyl propionate 1010.81
    nitromethane 2040.58
    1,2-diethoxyethane 1364.77
    benzonitrile 843.73
    trioctyl phosphate 131.4
    1-bromopropane 1030.88
    gamma-valerolactone 2021.06
    n-decanol 140.29
    triethyl phosphate 269.53
    4-methyl-2-pentanol 381.02
    propionitrile 1128.43
    vinylene carbonate 1032.64
    1,1,2-trichlorotrifluoroethane 974.6
    DMS 949.09
    cumene 327.85
    2-octanol 145.64
    2-hexanone 791.63
    octyl acetate 285.48
    limonene 235.84
    1,2-dimethoxyethane 1883.36
    ethyl orthosilicate 272.33
    tributyl phosphate 191.8
    diacetone alcohol 917.09
    N,N-dimethylaniline 683.58
    acrylonitrile 1349.39
    aniline 1008.56
    1,3-propanediol 691.62
    bromobenzene 1311.26
    dibromomethane 1801.22
    1,1,2,2-tetrachloroethane 2647.84
    2-methyl-cyclohexyl acetate 443.39
    tetrabutyl urea 224.87
    diisobutyl methanol 190.16
    2-phenylethanol 670.15
    styrene 704.98
    dioctyl adipate 333.33
    dimethyl sulfate 783.98
    ethyl butyrate 680.2
    methyl lactate 527.04
    butyl lactate 328.61
    diethyl carbonate 518.57
    propanediol butyl ether 345.95
    triethyl orthoformate 426.41
    p-tert-butyltoluene 216.04
    methyl 4-tert-butylbenzoate 560.84
    morpholine 2708.45
    tert-butylamine 538.93
    n-dodecanol 110.42
    dimethoxymethane 2027.36
    ethylene carbonate 928.81
    cyrene 376.88
    2-ethoxyethyl acetate 962.94
    2-ethylhexyl acetate 649.5
    1,2,4-trichlorobenzene 1070.38
    4-methylpyridine 1939.14
    dibutyl ether 330.21
    2,6-dimethyl-4-heptanol 190.16
    DEF 1284.7
    dimethyl isosorbide 962.9
    tetrachloroethylene 1545.28
    eugenol 542.7
    triacetin 648.95
    span 80 386.42
    1,4-butanediol 204.86
    1,1-dichloroethane 2065.73
    2-methyl-1-pentanol 367.71
    methyl formate 843.5
    2-methyl-1-butanol 558.92
    n-decane 28.52
    butyronitrile 909.77
    3,7-dimethyl-1-octanol 251.11
    1-chlorooctane 140.89
    1-chlorotetradecane 69.08
    n-nonane 23.38
    undecane 22.13
    tert-butylcyclohexane 76.62
    cyclooctane 58.24
    cyclopentanol 435.93
    tetrahydropyran 1973.93
    tert-amyl methyl ether 764.56
    2,5,8-trioxanonane 1218.27
    1-hexene 257.2
    2-isopropoxyethanol 656.86
    2,2,2-trifluoroethanol 399.95
    methyl butyrate 1076.01

    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