Bornane-2,3-dione

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  • Identifiers

    CAS number
    465-29-2

    Molecular formula
    C10H14O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Camphoreous 64.18%
    Woody 63.5%
    Herbal 56.88%
    Mint 54.01%
    Sweet 43.1%
    Tobacco 41.01%
    Cooling 33.94%
    Phenolic 33.85%
    Spicy 33.74%
    Pine 32.49%

     

    Flavor
    Bitter 51.8%
    Minty 39.48%
    Herbal 35.54%
    Woody 35.53%
    Camphor 34.16%
    Tobacco 31.82%
    Balsam 26.43%
    Sweet 25.54%
    Red fruit 23.64%
    Ripe apricot 23.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.17 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    248°C

    Flash point

    • 89.04 ˚C est.

  • Synonyms

    • Camphorquinone
    • 2,3-Bornanedione
    • 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione
    • bornane-2,3-dione
    • 465-29-2
    • Camphor quinone
    • Camphoquinone
    • CHEBI:34607
    • 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione bornane-2,3-dione
    • 1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTANE-2,3-DIONE
    • 1,7,7-trimethylbicyclo(2.2.1)heptane-2,3-dione bornane-2,3-dione
    • RefChem:570022
    • 207-363-6
    • 10373-78-1
    • DL-CAMPHORQUINONE
    • (+/-)-Camphorquinone
    • Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-
    • dl-Camphoroquinone
    • 1,7,7-trimethylnorbornane-2,3-dione
    • DTXSID7049394
    • ( inverted exclamation markA)-Camphorquinone
    • MFCD00064160
    • Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)-
    • CAMPHOREQUINONE
    • Bicyclo[2.2.1]heptane-2, 1,7,7-trimethyl-
    • NSC-285
    • (1R)-(-)-2,3-Bornanedione
    • 3-Ketocamphor
    • NSC-402031
    • (+/-) camphorquinone
    • (1R)-(-)-Camphorquinon
    • SCHEMBL15201
    • CHEMBL301431
    • NSC285
    • DTXCID4029353
    • (1S)-(+)-2,3-Bornanedione
    • Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1S)-
    • Tox21_202961
    • BBL012870
    • NSC402031
    • STK803340
    • AKOS001042401
    • AKOS016037995
    • EBC-618243
    • FC40615
    • LMPR0102120030
    • MSK170568-1000M
    • NCGC00260507-01
    • AS-15119
    • SY036381
    • CAS-10373-78-1
    • DB-047258
    • DB-058983
    • DB-059044
    • DB-286103
    • C1660
    • CS-0127185
    • NS00019583
    • NS00080204
    • ST50307377
    • EN300-17476
    • N11921
    • 1,7,7-trimethyl-bicyclo[2.2.1]heptane-2,3-dione
    • Q2698440
    • 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione #
    • Z56943556
    • (+/-)-Camphorquinone Solution in Methanol, 1000ug/mL
    • 2,3-Bornanedione;1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
    • 10373-78-1

  • Applications

    Bornane-2,3-dione is a chemical intermediate used in the synthesis of camphor/bornane–derived compounds, serving as a building block for fragrance-related bicyclic structures and as a precursor in fragrance and cosmetics to access camphor-style aroma frameworks; it is also explored as a chiral building block for asymmetric synthesis in fine chemicals; in industrial manufacturing it can be converted into monomers or crosslinkable derivatives for polymers and coatings; in research settings it functions as a reactive 1,2-diketone to prepare derivatives or as a reference substrate for analytical methods and synthetic methodologies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 420.95
    methanol 576.85
    isopropanol 364.4
    water 79.54
    ethyl acetate 521.78
    n-propanol 331.85
    acetone 820.02
    n-butanol 245.07
    acetonitrile 661.26
    DMF 978.04
    toluene 280.12
    isobutanol 230.25
    1,4-dioxane 1133.83
    methyl acetate 693.25
    THF 1015.25
    2-butanone 576.63
    n-pentanol 143.98
    sec-butanol 260.68
    n-hexane 23.4
    ethylene glycol 246.51
    NMP 598.67
    cyclohexane 53.41
    DMSO 599.21
    n-butyl acetate 229.97
    n-octanol 92.0
    chloroform 1496.44
    n-propyl acetate 265.0
    acetic acid 584.43
    dichloromethane 1184.43
    cyclohexanone 578.89
    propylene glycol 203.58
    isopropyl acetate 343.04
    DMAc 588.97
    2-ethoxyethanol 420.92
    isopentanol 203.39
    n-heptane 17.41
    ethyl formate 397.02
    1,2-dichloroethane 729.95
    n-hexanol 183.44
    2-methoxyethanol 808.67
    isobutyl acetate 159.62
    tetrachloromethane 366.47
    n-pentyl acetate 169.26
    transcutol 780.63
    n-heptanol 114.86
    ethylbenzene 182.11
    MIBK 279.45
    2-propoxyethanol 458.03
    tert-butanol 372.3
    MTBE 293.29
    2-butoxyethanol 272.74
    propionic acid 402.14
    o-xylene 227.56
    formic acid 571.57
    diethyl ether 373.44
    m-xylene 231.28
    p-xylene 345.11
    chlorobenzene 465.47
    dimethyl carbonate 338.63
    n-octane 10.86
    formamide 1174.47
    cyclopentanone 783.69
    2-pentanone 400.04
    anisole 389.81
    cyclopentyl methyl ether 355.86
    gamma-butyrolactone 1011.18
    1-methoxy-2-propanol 574.28
    pyridine 727.88
    3-pentanone 348.32
    furfural 900.0
    n-dodecane 8.69
    diethylene glycol 487.89
    diisopropyl ether 131.64
    tert-amyl alcohol 255.28
    acetylacetone 632.38
    n-hexadecane 10.6
    acetophenone 356.92
    methyl propionate 438.45
    isopentyl acetate 226.89
    trichloroethylene 1563.33
    n-nonanol 89.14
    cyclohexanol 231.99
    benzyl alcohol 273.48
    2-ethylhexanol 102.08
    isooctanol 97.99
    dipropyl ether 128.74
    1,2-dichlorobenzene 448.6
    ethyl lactate 154.02
    propylene carbonate 530.95
    n-methylformamide 805.19
    2-pentanol 180.04
    n-pentane 30.33
    1-propoxy-2-propanol 290.08
    1-methoxy-2-propyl acetate 351.93
    2-(2-methoxypropoxy) propanol 242.16
    mesitylene 151.17
    ε-caprolactone 509.2
    p-cymene 91.82
    epichlorohydrin 1039.82
    1,1,1-trichloroethane 934.4
    2-aminoethanol 344.01
    morpholine-4-carbaldehyde 896.42
    sulfolane 805.92
    2,2,4-trimethylpentane 18.13
    2-methyltetrahydrofuran 563.89
    n-hexyl acetate 216.15
    isooctane 17.76
    2-(2-butoxyethoxy)ethanol 303.78
    sec-butyl acetate 189.65
    tert-butyl acetate 363.9
    decalin 33.69
    glycerin 332.79
    diglyme 640.2
    acrylic acid 438.65
    isopropyl myristate 96.62
    n-butyric acid 382.24
    acetyl acetate 436.86
    di(2-ethylhexyl) phthalate 104.11
    ethyl propionate 259.82
    nitromethane 1481.0
    1,2-diethoxyethane 285.43
    benzonitrile 376.14
    trioctyl phosphate 71.41
    1-bromopropane 266.31
    gamma-valerolactone 1012.24
    n-decanol 68.04
    triethyl phosphate 115.38
    4-methyl-2-pentanol 126.25
    propionitrile 400.16
    vinylene carbonate 584.7
    1,1,2-trichlorotrifluoroethane 761.72
    DMS 344.48
    cumene 129.35
    2-octanol 81.21
    2-hexanone 260.25
    octyl acetate 117.07
    limonene 96.11
    1,2-dimethoxyethane 643.56
    ethyl orthosilicate 109.24
    tributyl phosphate 86.69
    diacetone alcohol 387.11
    N,N-dimethylaniline 236.26
    acrylonitrile 594.8
    aniline 383.86
    1,3-propanediol 441.32
    bromobenzene 445.7
    dibromomethane 647.44
    1,1,2,2-tetrachloroethane 1084.28
    2-methyl-cyclohexyl acetate 170.6
    tetrabutyl urea 107.37
    diisobutyl methanol 81.04
    2-phenylethanol 296.19
    styrene 201.83
    dioctyl adipate 126.54
    dimethyl sulfate 478.01
    ethyl butyrate 186.0
    methyl lactate 272.87
    butyl lactate 157.48
    diethyl carbonate 158.17
    propanediol butyl ether 216.1
    triethyl orthoformate 148.06
    p-tert-butyltoluene 90.69
    methyl 4-tert-butylbenzoate 269.85
    morpholine 977.6
    tert-butylamine 213.51
    n-dodecanol 51.6
    dimethoxymethane 670.73
    ethylene carbonate 452.72
    cyrene 250.19
    2-ethoxyethyl acetate 289.76
    2-ethylhexyl acetate 164.43
    1,2,4-trichlorobenzene 508.81
    4-methylpyridine 633.71
    dibutyl ether 96.12
    2,6-dimethyl-4-heptanol 81.04
    DEF 383.12
    dimethyl isosorbide 442.98
    tetrachloroethylene 863.6
    eugenol 274.25
    triacetin 259.56
    span 80 185.61
    1,4-butanediol 158.36
    1,1-dichloroethane 790.5
    2-methyl-1-pentanol 128.93
    methyl formate 692.05
    2-methyl-1-butanol 177.12
    n-decane 14.56
    butyronitrile 295.72
    3,7-dimethyl-1-octanol 97.0
    1-chlorooctane 63.42
    1-chlorotetradecane 28.17
    n-nonane 12.92
    undecane 10.96
    tert-butylcyclohexane 27.96
    cyclooctane 20.42
    cyclopentanol 320.27
    tetrahydropyran 563.02
    tert-amyl methyl ether 196.02
    2,5,8-trioxanonane 416.98
    1-hexene 82.08
    2-isopropoxyethanol 273.82
    2,2,2-trifluoroethanol 529.96
    methyl butyrate 309.09

    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