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

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  • Identifiers

    CAS number
    67860-11-1

    Molecular formula
    C13H22O2

    SMILES
    CCC(=O)OC1C(C2CCC1(C2)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.84%
    Herbal 53.64%
    Fruity 51.33%
    Pine 51.33%
    Camphoreous 43.24%
    Sweet 41.4%
    Balsamic 40.13%
    Mint 34.57%
    Earthy 34.49%
    Spicy 33.95%

     

    Flavor
    Woody 67.35%
    Sweet 61.87%
    Herbal 60.8%
    Camphor 54.88%
    Pine 54.8%
    Balsam 40.75%
    Citrus 40.49%
    Bitter 36.17%
    Fruit 32.22%
    Earthy 31.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.77 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    234°C

    Flash point

    • 106.92 ˚C est.

  • Synonyms

    • 67860-11-1
    • Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, propanoate
    • DTXSID10886973
    • Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, 2-propanoate
    • Propionic acid, 1,3,3-trimethylbicyclo(2.2.1)hept-2-yl ester
    • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-propanoate
    • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, propanoate
    • RefChem:119681
    • DTXCID201026289
    • UUBGRKCIBHMJQC-UHFFFAOYSA-N
    • 1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL PROPANOATE
    • 67860-11-1

  • Applications

    Chemical name is Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-propanoate and CAS 67860-11-1; it is commonly used in fragrance and cosmetics as a fixed fragrance ingredient, contributing woody, resinous notes with good longevity in perfumery. It may also be employed in household products such as cleaners and detergents to impart a lasting scent. In industrial manufacturing, it can serve as an intermediate in fragrance synthesis or formulation components, and in coatings and inks as a fragrance additive to introduce odor characteristics. Use is formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 776.48
    methanol 878.77
    isopropanol 960.78
    water 17.62
    ethyl acetate 632.48
    n-propanol 766.86
    acetone 763.71
    n-butanol 746.76
    acetonitrile 697.65
    DMF 1000.78
    toluene 805.17
    isobutanol 727.72
    1,4-dioxane 1136.93
    methyl acetate 710.23
    THF 1437.35
    2-butanone 871.0
    n-pentanol 487.73
    sec-butanol 772.94
    n-hexane 50.37
    ethylene glycol 191.64
    NMP 659.15
    cyclohexane 113.8
    DMSO 399.14
    n-butyl acetate 673.71
    n-octanol 383.68
    chloroform 2634.38
    n-propyl acetate 488.97
    acetic acid 541.36
    dichloromethane 1653.93
    cyclohexanone 981.06
    propylene glycol 320.19
    isopropyl acetate 563.27
    DMAc 807.02
    2-ethoxyethanol 583.74
    isopentanol 708.2
    n-heptane 46.96
    ethyl formate 613.41
    1,2-dichloroethane 753.1
    n-hexanol 643.27
    2-methoxyethanol 885.0
    isobutyl acetate 453.05
    tetrachloromethane 491.45
    n-pentyl acetate 465.74
    transcutol 936.77
    n-heptanol 407.73
    ethylbenzene 486.8
    MIBK 471.62
    2-propoxyethanol 814.02
    tert-butanol 902.82
    MTBE 747.97
    2-butoxyethanol 610.44
    propionic acid 470.38
    o-xylene 513.17
    formic acid 249.12
    diethyl ether 475.82
    m-xylene 578.41
    p-xylene 777.46
    chlorobenzene 803.05
    dimethyl carbonate 297.72
    n-octane 33.45
    formamide 391.31
    cyclopentanone 1033.73
    2-pentanone 599.36
    anisole 678.49
    cyclopentyl methyl ether 536.06
    gamma-butyrolactone 1078.86
    1-methoxy-2-propanol 776.97
    pyridine 1115.6
    3-pentanone 444.9
    furfural 1138.05
    n-dodecane 36.46
    diethylene glycol 542.38
    diisopropyl ether 225.18
    tert-amyl alcohol 699.47
    acetylacetone 698.26
    n-hexadecane 41.85
    acetophenone 608.56
    methyl propionate 486.23
    isopentyl acetate 742.1
    trichloroethylene 1736.33
    n-nonanol 332.63
    cyclohexanol 602.67
    benzyl alcohol 621.79
    2-ethylhexanol 400.51
    isooctanol 355.1
    dipropyl ether 258.1
    1,2-dichlorobenzene 709.74
    ethyl lactate 271.7
    propylene carbonate 836.61
    n-methylformamide 579.47
    2-pentanol 537.36
    n-pentane 65.67
    1-propoxy-2-propanol 612.25
    1-methoxy-2-propyl acetate 592.42
    2-(2-methoxypropoxy) propanol 463.02
    mesitylene 373.0
    ε-caprolactone 867.53
    p-cymene 287.15
    epichlorohydrin 1144.02
    1,1,1-trichloroethane 1106.55
    2-aminoethanol 441.64
    morpholine-4-carbaldehyde 940.86
    sulfolane 720.54
    2,2,4-trimethylpentane 64.57
    2-methyltetrahydrofuran 963.69
    n-hexyl acetate 623.67
    isooctane 57.92
    2-(2-butoxyethoxy)ethanol 543.16
    sec-butyl acetate 423.36
    tert-butyl acetate 534.82
    decalin 87.81
    glycerin 351.85
    diglyme 933.66
    acrylic acid 411.54
    isopropyl myristate 267.86
    n-butyric acid 691.73
    acetyl acetate 503.42
    di(2-ethylhexyl) phthalate 278.92
    ethyl propionate 397.63
    nitromethane 797.43
    1,2-diethoxyethane 451.7
    benzonitrile 894.52
    trioctyl phosphate 201.44
    1-bromopropane 545.86
    gamma-valerolactone 1329.37
    n-decanol 246.66
    triethyl phosphate 217.95
    4-methyl-2-pentanol 386.73
    propionitrile 711.15
    vinylene carbonate 896.81
    1,1,2-trichlorotrifluoroethane 753.0
    DMS 438.8
    cumene 346.31
    2-octanol 314.98
    2-hexanone 508.97
    octyl acetate 332.42
    limonene 307.24
    1,2-dimethoxyethane 930.24
    ethyl orthosilicate 224.16
    tributyl phosphate 224.11
    diacetone alcohol 514.09
    N,N-dimethylaniline 484.44
    acrylonitrile 780.44
    aniline 680.57
    1,3-propanediol 612.12
    bromobenzene 873.37
    dibromomethane 1068.93
    1,1,2,2-tetrachloroethane 1350.93
    2-methyl-cyclohexyl acetate 421.39
    tetrabutyl urea 251.15
    diisobutyl methanol 238.42
    2-phenylethanol 655.6
    styrene 533.07
    dioctyl adipate 318.14
    dimethyl sulfate 335.81
    ethyl butyrate 430.97
    methyl lactate 309.51
    butyl lactate 361.01
    diethyl carbonate 329.22
    propanediol butyl ether 482.3
    triethyl orthoformate 323.72
    p-tert-butyltoluene 287.3
    methyl 4-tert-butylbenzoate 510.33
    morpholine 1111.88
    tert-butylamine 631.86
    n-dodecanol 190.48
    dimethoxymethane 669.6
    ethylene carbonate 721.47
    cyrene 410.17
    2-ethoxyethyl acetate 527.87
    2-ethylhexyl acetate 539.64
    1,2,4-trichlorobenzene 806.03
    4-methylpyridine 1292.03
    dibutyl ether 276.46
    2,6-dimethyl-4-heptanol 238.42
    DEF 528.43
    dimethyl isosorbide 683.23
    tetrachloroethylene 902.36
    eugenol 507.15
    triacetin 460.13
    span 80 406.96
    1,4-butanediol 292.77
    1,1-dichloroethane 1132.97
    2-methyl-1-pentanol 512.67
    methyl formate 502.78
    2-methyl-1-butanol 641.01
    n-decane 55.4
    butyronitrile 725.62
    3,7-dimethyl-1-octanol 387.2
    1-chlorooctane 220.08
    1-chlorotetradecane 100.46
    n-nonane 49.27
    undecane 43.76
    tert-butylcyclohexane 93.16
    cyclooctane 45.73
    cyclopentanol 656.23
    tetrahydropyran 918.2
    tert-amyl methyl ether 470.28
    2,5,8-trioxanonane 599.23
    1-hexene 218.34
    2-isopropoxyethanol 477.19
    2,2,2-trifluoroethanol 320.88
    methyl butyrate 547.95

    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