Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-benzoate

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  • Identifiers

    CAS number
    55066-54-1

    Molecular formula
    C17H22O2

    SMILES
    CC1(C2CCC(C2)(C1OC(=O)C3=CC=CC=C3)C)C

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 61.23%
    Herbal 58.25%
    Woody 47.65%
    Pine 39.18%
    Sweet 35.83%
    Camphoreous 35.18%
    Green 33.69%
    Amber 33.64%
    Fresh 31.91%
    Spicy 30.2%

     

    Flavor
    Herbal 48.19%
    Balsam 46.09%
    Woody 45.65%
    Bitter 45.11%
    Sweet 41.52%
    Camphor 36.17%
    Pine 30.53%
    Powdery 27.27%
    Balsamic 24.66%
    Tobacco 23.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    6.9 (neutral)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 138.83 ˚C est.

  • Synonyms

    • 55066-54-1
    • EINECS 259-463-4
    • DTXSID40866460
    • Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, benzoate
    • Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, 2-benzoate
    • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, benzoate
    • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-benzoate
    • RefChem:119680
    • DTXCID20814742
    • 3,3-Dimethyl-8,9-dinorbornan-2-yl benzoate
    • SCHEMBL3385567
    • CFCOHOJKZGUZDZ-UHFFFAOYSA-N
    • 1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL BENZOATE
    • NS00057653
    • (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) benzoate
    • 55066-54-1

  • Applications

    Chemical: Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-benzoate (CAS 55066-54-1) is used primarily as a fragrance ingredient and fixative in perfumery and cosmetics, contributing a distinctive odor and helping to moderate volatility in products such as fragrances, skincare, and cleaners. It also serves as a synthetic intermediate and chiral building block in organic synthesis, enabling access to norbornane-derived scaffolds for specialty polymers and for pharmaceutical or agrochemical intermediates. In industrial manufacturing, it may function as a specialty additive or coupling partner in coatings and inks, and it may be evaluated for use in household products as a fragrance component, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 616.9
    methanol 561.01
    isopropanol 433.91
    water 2.72
    ethyl acetate 983.8
    n-propanol 540.46
    acetone 699.83
    n-butanol 569.65
    acetonitrile 555.14
    DMF 865.27
    toluene 659.93
    isobutanol 425.69
    1,4-dioxane 1239.92
    methyl acetate 732.82
    THF 1164.34
    2-butanone 749.56
    n-pentanol 315.35
    sec-butanol 361.8
    n-hexane 49.15
    ethylene glycol 67.87
    NMP 408.38
    cyclohexane 94.8
    DMSO 218.32
    n-butyl acetate 774.49
    n-octanol 191.93
    chloroform 1822.32
    n-propyl acetate 557.93
    acetic acid 453.7
    dichloromethane 1381.06
    cyclohexanone 836.98
    propylene glycol 103.68
    isopropyl acetate 762.67
    DMAc 751.29
    2-ethoxyethanol 511.29
    isopentanol 581.42
    n-heptane 34.85
    ethyl formate 514.82
    1,2-dichloroethane 931.65
    n-hexanol 514.13
    2-methoxyethanol 765.58
    isobutyl acetate 461.0
    tetrachloromethane 202.82
    n-pentyl acetate 380.48
    transcutol 1670.11
    n-heptanol 243.64
    ethylbenzene 389.44
    MIBK 561.57
    2-propoxyethanol 830.42
    tert-butanol 415.74
    MTBE 643.72
    2-butoxyethanol 485.0
    propionic acid 300.93
    o-xylene 354.34
    formic acid 182.39
    diethyl ether 745.55
    m-xylene 469.43
    p-xylene 511.97
    chlorobenzene 732.13
    dimethyl carbonate 321.51
    n-octane 19.34
    formamide 359.1
    cyclopentanone 721.62
    2-pentanone 714.15
    anisole 673.7
    cyclopentyl methyl ether 558.16
    gamma-butyrolactone 718.77
    1-methoxy-2-propanol 597.73
    pyridine 915.99
    3-pentanone 509.32
    furfural 721.92
    n-dodecane 16.28
    diethylene glycol 442.03
    diisopropyl ether 279.21
    tert-amyl alcohol 345.78
    acetylacetone 751.66
    n-hexadecane 19.12
    acetophenone 535.53
    methyl propionate 619.19
    isopentyl acetate 753.17
    trichloroethylene 1620.51
    n-nonanol 191.82
    cyclohexanol 365.85
    benzyl alcohol 429.99
    2-ethylhexanol 279.32
    isooctanol 213.67
    dipropyl ether 299.58
    1,2-dichlorobenzene 637.93
    ethyl lactate 214.83
    propylene carbonate 531.32
    n-methylformamide 470.73
    2-pentanol 361.38
    n-pentane 59.05
    1-propoxy-2-propanol 495.61
    1-methoxy-2-propyl acetate 732.75
    2-(2-methoxypropoxy) propanol 407.01
    mesitylene 288.33
    ε-caprolactone 741.19
    p-cymene 179.15
    epichlorohydrin 1157.08
    1,1,1-trichloroethane 855.07
    2-aminoethanol 217.34
    morpholine-4-carbaldehyde 778.49
    sulfolane 386.48
    2,2,4-trimethylpentane 43.81
    2-methyltetrahydrofuran 796.77
    n-hexyl acetate 484.74
    isooctane 44.32
    2-(2-butoxyethoxy)ethanol 591.5
    sec-butyl acetate 505.98
    tert-butyl acetate 676.93
    decalin 66.78
    glycerin 147.01
    diglyme 1034.38
    acrylic acid 255.0
    isopropyl myristate 193.67
    n-butyric acid 659.51
    acetyl acetate 585.73
    di(2-ethylhexyl) phthalate 170.51
    ethyl propionate 505.81
    nitromethane 753.66
    1,2-diethoxyethane 712.26
    benzonitrile 611.84
    trioctyl phosphate 117.11
    1-bromopropane 585.57
    gamma-valerolactone 1096.73
    n-decanol 137.72
    triethyl phosphate 175.24
    4-methyl-2-pentanol 303.54
    propionitrile 530.54
    vinylene carbonate 587.39
    1,1,2-trichlorotrifluoroethane 536.15
    DMS 463.03
    cumene 255.17
    2-octanol 151.91
    2-hexanone 490.66
    octyl acetate 228.96
    limonene 198.34
    1,2-dimethoxyethane 932.93
    ethyl orthosilicate 193.0
    tributyl phosphate 155.04
    diacetone alcohol 485.21
    N,N-dimethylaniline 401.54
    acrylonitrile 581.18
    aniline 511.65
    1,3-propanediol 407.74
    bromobenzene 742.65
    dibromomethane 888.28
    1,1,2,2-tetrachloroethane 1264.61
    2-methyl-cyclohexyl acetate 338.49
    tetrabutyl urea 169.05
    diisobutyl methanol 167.19
    2-phenylethanol 524.74
    styrene 444.64
    dioctyl adipate 232.24
    dimethyl sulfate 256.14
    ethyl butyrate 472.4
    methyl lactate 236.42
    butyl lactate 272.5
    diethyl carbonate 314.92
    propanediol butyl ether 296.74
    triethyl orthoformate 314.27
    p-tert-butyltoluene 170.8
    methyl 4-tert-butylbenzoate 359.74
    morpholine 1216.61
    tert-butylamine 307.63
    n-dodecanol 101.99
    dimethoxymethane 766.67
    ethylene carbonate 529.17
    cyrene 267.4
    2-ethoxyethyl acetate 586.89
    2-ethylhexyl acetate 556.21
    1,2,4-trichlorobenzene 626.28
    4-methylpyridine 1054.76
    dibutyl ether 250.05
    2,6-dimethyl-4-heptanol 167.19
    DEF 670.74
    dimethyl isosorbide 590.95
    tetrachloroethylene 755.57
    eugenol 363.48
    triacetin 376.33
    span 80 281.33
    1,4-butanediol 135.86
    1,1-dichloroethane 971.08
    2-methyl-1-pentanol 360.97
    methyl formate 343.13
    2-methyl-1-butanol 462.89
    n-decane 28.37
    butyronitrile 656.51
    3,7-dimethyl-1-octanol 272.34
    1-chlorooctane 144.46
    1-chlorotetradecane 57.62
    n-nonane 24.94
    undecane 20.62
    tert-butylcyclohexane 63.5
    cyclooctane 40.84
    cyclopentanol 271.78
    tetrahydropyran 1042.05
    tert-amyl methyl ether 434.44
    2,5,8-trioxanonane 628.27
    1-hexene 223.73
    2-isopropoxyethanol 401.37
    2,2,2-trifluoroethanol 218.3
    methyl butyrate 619.3

    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