Dicyclopentadiene ketone

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  • Identifiers

    CAS number
    6316-16-1

    Molecular formula
    C10H12O

    SMILES
    C1C=CC2C1C3CC2C(=O)C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 73.09%
    Fruity 72.8%
    Woody 71.61%
    Herbal 52.28%
    Fresh 44.46%
    Spicy 39.74%
    Floral 38.89%
    Jasmin 32.33%
    Oily 31.66%
    Sweet 30.44%

     

    Flavor
    Bitter 66.84%
    Animal 21.81%
    Alkaline 20.73%
    Shrimp 20.51%
    Cedarleaf 20.43%
    Lovage 19.25%
    Cereal 19.24%
    Nitrile 19.1%
    Basil 19.05%
    Terpentine 18.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.34 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    248°C

    Flash point

    • 82.36 ˚C est.

  • Synonyms

    • 6316-16-1
    • Dicyclopentadiene ketone
    • 4,7-Methano-5H-inden-5-one, 1,3a,4,6,7,7a-hexahydro-
    • 1,3a,4,6,7,7a-Hexahydro-4,7-methano-5H-inden-5-one
    • NSC 22458
    • EINECS 228-649-7
    • NSC 31987
    • Tricyclo(5.2.1.02,6)dec-4-en-8-one
    • DTXSID10863744
    • Tricyclo[5.2.1.02,6]dec-4-en-8-one
    • RefChem:586894
    • DTXCID60812323
    • 228-649-7
    • 3A,4,7,7a-tetrahydro-1H-4,7-methanoinden-5(6H)-one
    • 4, 1,3a,4,6,7,7a-hexahydro-
    • Tricyclo[5.2.1.0(2,6)]dec-4-en-8-one
    • SCHEMBL5696189
    • NSC22458
    • NSC31987
    • NSC-22458
    • NSC-31987
    • AKOS024332830
    • tricyclo[5.2.1.0,dec-4-en-8-one
    • DB-324831
    • NS00044144
    • tricyclo[5.2.1.0(2),]dec-4-en-8-one
    • tricyclo[5.2.1.0,2,6]dec-4-en-8-one
    • EN300-7732559
    • 8-KETOTRICYCLO(5.2.1.0 2,6)-4-DECENE
    • 1,3a,4,6,7,7a-hexahydro-5H-4,7-methanoinden-5-one
    • 6316-16-1

  • Applications

    Dicyclopentadiene ketone (CAS 6316-16-1) is primarily used as a chemical building block and intermediate in polymer and resin manufacture; it is used as a reactive monomer or crosslinking component in specialty polymers and thermoset resins to impart rigidity and thermal stability. In coatings and inks, it can function as a reactive intermediate or crosslinking agent, improving adhesion and solvent resistance. In adhesive formulations, it serves as a building block to tailor resin properties. In industrial manufacturing, it is commonly used as an intermediate for the synthesis of complex organic compounds and resin systems. Its bicyclic structure and ketone functionality may also make it of interest for electronic-grade resin materials, depending on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 277.08
    methanol 361.72
    isopropanol 213.96
    water 10.51
    ethyl acetate 551.91
    n-propanol 251.87
    acetone 480.63
    n-butanol 189.19
    acetonitrile 535.64
    DMF 532.99
    toluene 377.5
    isobutanol 171.07
    1,4-dioxane 1174.5
    methyl acetate 512.23
    THF 564.19
    2-butanone 369.24
    n-pentanol 125.18
    sec-butanol 136.84
    n-hexane 12.45
    ethylene glycol 164.76
    NMP 266.56
    cyclohexane 31.62
    DMSO 398.67
    n-butyl acetate 206.71
    n-octanol 90.56
    chloroform 1455.53
    n-propyl acetate 195.87
    acetic acid 365.4
    dichloromethane 1022.96
    cyclohexanone 386.57
    propylene glycol 148.34
    isopropyl acetate 278.06
    DMAc 344.84
    2-ethoxyethanol 340.36
    isopentanol 186.69
    n-heptane 14.61
    ethyl formate 270.9
    1,2-dichloroethane 565.92
    n-hexanol 166.4
    2-methoxyethanol 569.85
    isobutyl acetate 129.62
    tetrachloromethane 186.36
    n-pentyl acetate 131.19
    transcutol 1946.53
    n-heptanol 88.19
    ethylbenzene 130.31
    MIBK 210.99
    2-propoxyethanol 440.25
    tert-butanol 210.23
    MTBE 200.77
    2-butoxyethanol 253.96
    propionic acid 286.19
    o-xylene 168.82
    formic acid 234.76
    diethyl ether 308.17
    m-xylene 229.87
    p-xylene 167.11
    chlorobenzene 401.16
    dimethyl carbonate 251.11
    n-octane 8.44
    formamide 336.85
    cyclopentanone 397.14
    2-pentanone 283.97
    anisole 340.73
    cyclopentyl methyl ether 258.46
    gamma-butyrolactone 516.91
    1-methoxy-2-propanol 404.8
    pyridine 753.41
    3-pentanone 251.4
    furfural 573.42
    n-dodecane 9.41
    diethylene glycol 478.61
    diisopropyl ether 98.25
    tert-amyl alcohol 121.31
    acetylacetone 437.97
    n-hexadecane 10.83
    acetophenone 248.37
    methyl propionate 389.87
    isopentyl acetate 179.67
    trichloroethylene 1118.89
    n-nonanol 84.98
    cyclohexanol 150.3
    benzyl alcohol 235.33
    2-ethylhexanol 92.77
    isooctanol 77.35
    dipropyl ether 119.79
    1,2-dichlorobenzene 326.56
    ethyl lactate 125.55
    propylene carbonate 291.05
    n-methylformamide 393.24
    2-pentanol 124.75
    n-pentane 16.95
    1-propoxy-2-propanol 255.17
    1-methoxy-2-propyl acetate 328.88
    2-(2-methoxypropoxy) propanol 267.77
    mesitylene 138.57
    ε-caprolactone 353.3
    p-cymene 71.19
    epichlorohydrin 670.2
    1,1,1-trichloroethane 519.32
    2-aminoethanol 243.23
    morpholine-4-carbaldehyde 627.82
    sulfolane 326.89
    2,2,4-trimethylpentane 12.12
    2-methyltetrahydrofuran 356.64
    n-hexyl acetate 186.7
    isooctane 15.58
    2-(2-butoxyethoxy)ethanol 419.37
    sec-butyl acetate 151.23
    tert-butyl acetate 226.46
    decalin 22.2
    glycerin 248.79
    diglyme 787.36
    acrylic acid 297.41
    isopropyl myristate 81.23
    n-butyric acid 312.29
    acetyl acetate 356.56
    di(2-ethylhexyl) phthalate 88.89
    ethyl propionate 200.84
    nitromethane 798.43
    1,2-diethoxyethane 428.67
    benzonitrile 377.66
    trioctyl phosphate 55.24
    1-bromopropane 240.8
    gamma-valerolactone 712.58
    n-decanol 64.69
    triethyl phosphate 78.48
    4-methyl-2-pentanol 109.58
    propionitrile 338.47
    vinylene carbonate 377.79
    1,1,2-trichlorotrifluoroethane 466.59
    DMS 268.11
    cumene 89.17
    2-octanol 56.81
    2-hexanone 166.33
    octyl acetate 95.25
    limonene 76.22
    1,2-dimethoxyethane 479.71
    ethyl orthosilicate 78.34
    tributyl phosphate 70.44
    diacetone alcohol 244.59
    N,N-dimethylaniline 170.56
    acrylonitrile 487.44
    aniline 381.84
    1,3-propanediol 300.35
    bromobenzene 421.42
    dibromomethane 588.21
    1,1,2,2-tetrachloroethane 752.27
    2-methyl-cyclohexyl acetate 115.71
    tetrabutyl urea 80.94
    diisobutyl methanol 70.35
    2-phenylethanol 239.06
    styrene 176.43
    dioctyl adipate 107.73
    dimethyl sulfate 254.2
    ethyl butyrate 158.36
    methyl lactate 204.4
    butyl lactate 122.0
    diethyl carbonate 124.01
    propanediol butyl ether 235.21
    triethyl orthoformate 117.13
    p-tert-butyltoluene 66.72
    methyl 4-tert-butylbenzoate 186.6
    morpholine 832.07
    tert-butylamine 133.26
    n-dodecanol 51.7
    dimethoxymethane 492.65
    ethylene carbonate 312.19
    cyrene 177.47
    2-ethoxyethyl acetate 315.84
    2-ethylhexyl acetate 132.19
    1,2,4-trichlorobenzene 372.95
    4-methylpyridine 566.43
    dibutyl ether 110.02
    2,6-dimethyl-4-heptanol 70.35
    DEF 269.22
    dimethyl isosorbide 335.31
    tetrachloroethylene 512.32
    eugenol 207.62
    triacetin 243.21
    span 80 177.33
    1,4-butanediol 123.49
    1,1-dichloroethane 593.2
    2-methyl-1-pentanol 110.64
    methyl formate 334.09
    2-methyl-1-butanol 137.8
    n-decane 13.92
    butyronitrile 254.53
    3,7-dimethyl-1-octanol 104.71
    1-chlorooctane 59.31
    1-chlorotetradecane 29.56
    n-nonane 12.22
    undecane 11.13
    tert-butylcyclohexane 20.3
    cyclooctane 14.77
    cyclopentanol 150.36
    tetrahydropyran 513.31
    tert-amyl methyl ether 116.31
    2,5,8-trioxanonane 520.12
    1-hexene 50.82
    2-isopropoxyethanol 232.77
    2,2,2-trifluoroethanol 219.46
    methyl butyrate 207.39

    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