Bornelone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2226-11-1

    Molecular formula
    C14H20O

    SMILES
    CC(=O)/C=C/C=C\1/C2CCC(C2)C1(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 90.3%
    Floral 78.84%
    Sweet 67.73%
    Violet 67.16%
    Fruity 61.36%
    Berry 57.29%
    Orris 56.88%
    Powdery 56.25%
    Dry 40.12%
    Tropical 38.7%

     

    Flavor
    Woody 54.54%
    Floral 51.01%
    Sweet 46.8%
    Violet 38.18%
    Powdery 31.8%
    Orris 29.7%
    Spicy 29.46%
    Spice 25.8%
    Fruity 25.41%
    Wood 25.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.17 (weak base)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 110.69 ˚C est.

  • Synonyms

    • Bornelone
    • Bornelona
    • 2226-11-1
    • DTXSID9057688
    • DTXCID0031477
    • Bornelonum
    • LU86E5P72A
    • RefChem:917464
    • 218-757-2
    • Bornelone (USAN/INN)
    • SCHEMBL16147
    • CHEMBL2104245
    • WDMFHQNUSVLQMS-XFYQWYMDSA-N
    • Tox21_113671
    • NCGC00249895-01
    • CAS-2226-11-1
    • D03148
    • (3E,5Z)-5-(3,3-dimethylbicyclo[2.2.1]heptan-2-ylidene)pent-3-en-2-one
    • 2226-11-1

  • Applications

    Bornelone (CAS 2226-11-1) is used in industry as an organic synthesis intermediate and may function as a solvent or processing aid in coatings and inks, as well as in industrial cleaning formulations. It is also evaluated as a plasticizer or stabilizer for certain polymer systems and may be used as a component in adhesives to improve processability and bond performance. Applications depend on formulation requirements and are subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 762.58
    methanol 612.86
    isopropanol 686.62
    water 2.93
    ethyl acetate 1598.1
    n-propanol 785.8
    acetone 1539.26
    n-butanol 731.03
    acetonitrile 922.3
    DMF 1781.24
    toluene 1597.99
    isobutanol 612.33
    1,4-dioxane 2793.17
    methyl acetate 1287.04
    THF 2763.75
    2-butanone 1462.61
    n-pentanol 362.69
    sec-butanol 600.34
    n-hexane 159.7
    ethylene glycol 213.98
    NMP 1094.61
    cyclohexane 337.3
    DMSO 1022.65
    n-butyl acetate 707.32
    n-octanol 142.63
    chloroform 3943.24
    n-propyl acetate 627.38
    acetic acid 620.23
    dichloromethane 2740.2
    cyclohexanone 1541.98
    propylene glycol 325.18
    isopropyl acetate 1208.01
    DMAc 1633.95
    2-ethoxyethanol 805.06
    isopentanol 732.11
    n-heptane 48.13
    ethyl formate 558.3
    1,2-dichloroethane 2129.0
    n-hexanol 469.37
    2-methoxyethanol 1379.75
    isobutyl acetate 461.91
    tetrachloromethane 702.25
    n-pentyl acetate 370.36
    transcutol 3844.95
    n-heptanol 182.23
    ethylbenzene 605.57
    MIBK 835.03
    2-propoxyethanol 1125.97
    tert-butanol 946.03
    MTBE 1835.15
    2-butoxyethanol 491.18
    propionic acid 622.16
    o-xylene 755.3
    formic acid 326.15
    diethyl ether 1851.42
    m-xylene 944.42
    p-xylene 647.32
    chlorobenzene 1381.59
    dimethyl carbonate 804.04
    n-octane 16.49
    formamide 687.37
    cyclopentanone 1614.0
    2-pentanone 1237.16
    anisole 1310.66
    cyclopentyl methyl ether 1539.57
    gamma-butyrolactone 1584.49
    1-methoxy-2-propanol 1217.09
    pyridine 2034.41
    3-pentanone 1255.57
    furfural 1465.38
    n-dodecane 11.02
    diethylene glycol 799.92
    diisopropyl ether 687.16
    tert-amyl alcohol 785.21
    acetylacetone 1517.96
    n-hexadecane 14.03
    acetophenone 840.13
    methyl propionate 1287.09
    isopentyl acetate 756.25
    trichloroethylene 3857.72
    n-nonanol 143.5
    cyclohexanol 717.92
    benzyl alcohol 633.13
    2-ethylhexanol 269.54
    isooctanol 166.25
    dipropyl ether 494.44
    1,2-dichlorobenzene 1210.89
    ethyl lactate 307.5
    propylene carbonate 902.96
    n-methylformamide 909.38
    2-pentanol 546.71
    n-pentane 161.51
    1-propoxy-2-propanol 697.51
    1-methoxy-2-propyl acetate 1261.69
    2-(2-methoxypropoxy) propanol 661.86
    mesitylene 570.3
    ε-caprolactone 1338.16
    p-cymene 221.19
    epichlorohydrin 2625.57
    1,1,1-trichloroethane 2391.62
    2-aminoethanol 461.84
    morpholine-4-carbaldehyde 1736.82
    sulfolane 1334.32
    2,2,4-trimethylpentane 103.78
    2-methyltetrahydrofuran 2030.52
    n-hexyl acetate 516.97
    isooctane 89.86
    2-(2-butoxyethoxy)ethanol 882.95
    sec-butyl acetate 626.8
    tert-butyl acetate 1308.04
    decalin 151.95
    glycerin 467.8
    diglyme 1765.86
    acrylic acid 569.27
    isopropyl myristate 209.93
    n-butyric acid 839.61
    acetyl acetate 996.51
    di(2-ethylhexyl) phthalate 210.96
    ethyl propionate 742.53
    nitromethane 1488.71
    1,2-diethoxyethane 1193.82
    benzonitrile 769.86
    trioctyl phosphate 127.05
    1-bromopropane 1279.2
    gamma-valerolactone 2171.74
    n-decanol 102.88
    triethyl phosphate 288.63
    4-methyl-2-pentanol 398.22
    propionitrile 863.87
    vinylene carbonate 896.05
    1,1,2-trichlorotrifluoroethane 1669.95
    DMS 917.98
    cumene 354.79
    2-octanol 108.05
    2-hexanone 619.99
    octyl acetate 239.76
    limonene 295.1
    1,2-dimethoxyethane 1415.39
    ethyl orthosilicate 298.05
    tributyl phosphate 200.84
    diacetone alcohol 954.74
    N,N-dimethylaniline 704.2
    acrylonitrile 948.13
    aniline 1472.83
    1,3-propanediol 623.76
    bromobenzene 1547.51
    dibromomethane 1893.6
    1,1,2,2-tetrachloroethane 3281.22
    2-methyl-cyclohexyl acetate 434.88
    tetrabutyl urea 211.87
    diisobutyl methanol 190.1
    2-phenylethanol 624.15
    styrene 785.87
    dioctyl adipate 295.17
    dimethyl sulfate 947.16
    ethyl butyrate 499.57
    methyl lactate 573.46
    butyl lactate 343.11
    diethyl carbonate 393.75
    propanediol butyl ether 425.3
    triethyl orthoformate 427.87
    p-tert-butyltoluene 246.58
    methyl 4-tert-butylbenzoate 537.39
    morpholine 2885.24
    tert-butylamine 715.85
    n-dodecanol 76.57
    dimethoxymethane 1749.79
    ethylene carbonate 844.45
    cyrene 451.25
    2-ethoxyethyl acetate 811.32
    2-ethylhexyl acetate 613.47
    1,2,4-trichlorobenzene 1515.72
    4-methylpyridine 2072.68
    dibutyl ether 328.37
    2,6-dimethyl-4-heptanol 190.1
    DEF 1293.51
    dimethyl isosorbide 969.89
    tetrachloroethylene 1927.97
    eugenol 490.41
    triacetin 654.74
    span 80 414.11
    1,4-butanediol 207.55
    1,1-dichloroethane 2251.87
    2-methyl-1-pentanol 413.26
    methyl formate 617.31
    2-methyl-1-butanol 659.11
    n-decane 20.76
    butyronitrile 726.06
    3,7-dimethyl-1-octanol 232.75
    1-chlorooctane 130.64
    1-chlorotetradecane 50.77
    n-nonane 19.31
    undecane 14.52
    tert-butylcyclohexane 129.66
    cyclooctane 122.3
    cyclopentanol 601.26
    tetrahydropyran 2544.51
    tert-amyl methyl ether 1125.25
    2,5,8-trioxanonane 1038.15
    1-hexene 414.43
    2-isopropoxyethanol 584.61
    2,2,2-trifluoroethanol 439.34
    methyl butyrate 736.45

    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