Dihydrodicyclopentadiene

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  • Identifiers

    CAS number
    4488-57-7

    Molecular formula
    C10H14

    SMILES
    C1CC2CC1C3C2C=CC3

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 46.71%
    Green 42.38%
    Fruity 40.01%
    Fresh 38.16%
    Woody 35.14%
    Herbal 32.73%
    Citrus 32.66%
    Floral 30.17%
    Dry 24.88%
    Spicy 24.72%

     

    Flavor
    Animal 30.2%
    Alkaline 22.28%
    Shrimp 21.06%
    Bitter 19.39%
    Cereal 18.96%
    Sweet 18.67%
    Fir needle 18.66%
    Rotten 18.53%
    Indole 18.46%
    Ammoniacal 18.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.63 (weak base)

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    180°C

    Flash point

    • 37.56 ˚C est.

  • Synonyms

    • Dihydrodicyclopentadiene
    • 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene
    • Tricyclo(5.2.1.0(2,6))dec-4-ene
    • tricyclo[5.2.1.02,6]dec-3-ene
    • Tricyclo(5.2.1.0(2,6))dec-3-ene
    • 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-
    • EINECS 224-778-8
    • NSC 22462
    • 4,7-Methanoindene, 3a,4,5,6,7,7a-hexahydro-
    • Tricyclo[5.2.1.0(2,6)]dec-3-ene
    • 3a,4,7,7a-Tetrahydro-4,7-methanoindan
    • UNII-4Y71GL377S
    • AI3-51355
    • 3a,4,5,6,7,7a-Hexahydro-4,7-methanoindene
    • DTXSID70884076
    • EC 224-778-8
    • 4Y71GL377S
    • NSC-22462
    • Tricyclo[5.2.1.0(2,6)]dec-4-ene
    • TRICYCLO(5.2.1.02,6)DEC-3-ENE
    • RefChem:133790
    • DTXCID701023547
    • HANKSFAYJLDDKP-UHFFFAOYSA-N
    • 4488-57-7
    • 5,6-Dihydrodicyclopentadiene
    • MFCD00078238
    • Dihydrodicyclopentadiene; 95%
    • NSC22462
    • hexahydromethanoindene
    • DHDCPD
    • Tricyclo[5.2.1.02,6]decan-3-ene
    • SCHEMBL206560
    • SCHEMBL1551177
    • SCHEMBL1551178
    • SCHEMBL1551727
    • SCHEMBL1551762
    • SCHEMBL1552189
    • SCHEMBL1552191
    • SCHEMBL2781283
    • tricyclo[5.2.1.0,dec-3-ene
    • EAA48857
    • RCL T296457
    • AKOS025295338
    • tricyclo[5.2.1.0(2),]dec-3-ene
    • SY053865
    • Tricyclo[5.2.1.0(2,6)]decan-3-ene
    • CS-0377944
    • D2001
    • NS00002147
    • D89973
    • 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoindene
    • 4488-57-7

  • Applications

    Dihydrodicyclopentadiene, CAS 4488-57-7, is primarily used as an intermediate and building block in chemical synthesis and in the production of polymers and resins, enabling hydrogenated derivatives of dicyclopentadiene for specialty polymers and thermosetting systems. It is also used as a processing aid or diluent in coatings, inks, and adhesives formulations due to its compatibility with organic components. In fragrance chemistry, it may serve as an intermediate or fixative for certain aroma materials, and in industrial manufacturing it can be applied as a processing solvent or additive within formulation limits. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 905.8
    methanol 888.87
    isopropanol 698.03
    water 2.48
    ethyl acetate 1440.99
    n-propanol 793.69
    acetone 1239.29
    n-butanol 862.92
    acetonitrile 970.54
    DMF 563.18
    toluene 1208.08
    isobutanol 557.66
    1,4-dioxane 2251.66
    methyl acetate 933.65
    THF 2673.37
    2-butanone 945.78
    n-pentanol 460.04
    sec-butanol 520.48
    n-hexane 332.2
    ethylene glycol 179.91
    NMP 518.44
    cyclohexane 696.51
    DMSO 652.88
    n-butyl acetate 1171.99
    n-octanol 308.09
    chloroform 2481.96
    n-propyl acetate 566.94
    acetic acid 656.12
    dichloromethane 2069.19
    cyclohexanone 1241.48
    propylene glycol 221.08
    isopropyl acetate 969.57
    DMAc 434.1
    2-ethoxyethanol 630.4
    isopentanol 748.54
    n-heptane 356.31
    ethyl formate 598.09
    1,2-dichloroethane 1225.47
    n-hexanol 834.88
    2-methoxyethanol 1062.21
    isobutyl acetate 419.86
    tetrachloromethane 708.0
    n-pentyl acetate 438.54
    transcutol 2718.73
    n-heptanol 315.14
    ethylbenzene 314.29
    MIBK 742.53
    2-propoxyethanol 1217.49
    tert-butanol 685.1
    MTBE 1096.01
    2-butoxyethanol 534.77
    propionic acid 532.95
    o-xylene 476.45
    formic acid 229.15
    diethyl ether 1902.55
    m-xylene 719.33
    p-xylene 333.65
    chlorobenzene 877.75
    dimethyl carbonate 406.99
    n-octane 113.04
    formamide 310.55
    cyclopentanone 1162.43
    2-pentanone 1047.41
    anisole 569.35
    cyclopentyl methyl ether 1422.27
    gamma-butyrolactone 1126.55
    1-methoxy-2-propanol 908.17
    pyridine 1500.05
    3-pentanone 816.02
    furfural 891.57
    n-dodecane 80.76
    diethylene glycol 803.85
    diisopropyl ether 757.36
    tert-amyl alcohol 438.14
    acetylacetone 1052.51
    n-hexadecane 90.81
    acetophenone 362.59
    methyl propionate 859.37
    isopentyl acetate 945.14
    trichloroethylene 1701.9
    n-nonanol 286.64
    cyclohexanol 779.36
    benzyl alcohol 347.94
    2-ethylhexanol 526.6
    isooctanol 264.59
    dipropyl ether 1105.79
    1,2-dichlorobenzene 647.5
    ethyl lactate 211.38
    propylene carbonate 687.41
    n-methylformamide 454.74
    2-pentanol 602.84
    n-pentane 449.95
    1-propoxy-2-propanol 949.86
    1-methoxy-2-propyl acetate 976.82
    2-(2-methoxypropoxy) propanol 472.9
    mesitylene 493.14
    ε-caprolactone 991.63
    p-cymene 286.01
    epichlorohydrin 1379.62
    1,1,1-trichloroethane 1257.69
    2-aminoethanol 336.29
    morpholine-4-carbaldehyde 886.77
    sulfolane 723.26
    2,2,4-trimethylpentane 159.44
    2-methyltetrahydrofuran 1613.33
    n-hexyl acetate 571.41
    isooctane 214.85
    2-(2-butoxyethoxy)ethanol 792.31
    sec-butyl acetate 435.16
    tert-butyl acetate 841.27
    decalin 208.1
    glycerin 330.24
    diglyme 1374.06
    acrylic acid 406.21
    isopropyl myristate 279.19
    n-butyric acid 963.06
    acetyl acetate 927.9
    di(2-ethylhexyl) phthalate 191.5
    ethyl propionate 512.68
    nitromethane 890.54
    1,2-diethoxyethane 1425.8
    benzonitrile 558.73
    trioctyl phosphate 150.84
    1-bromopropane 1139.53
    gamma-valerolactone 1295.94
    n-decanol 225.67
    triethyl phosphate 253.29
    4-methyl-2-pentanol 459.24
    propionitrile 856.59
    vinylene carbonate 716.65
    1,1,2-trichlorotrifluoroethane 635.79
    DMS 462.69
    cumene 219.57
    2-octanol 202.58
    2-hexanone 522.42
    octyl acetate 299.52
    limonene 440.87
    1,2-dimethoxyethane 1045.66
    ethyl orthosilicate 287.73
    tributyl phosphate 201.96
    diacetone alcohol 578.98
    N,N-dimethylaniline 305.18
    acrylonitrile 764.27
    aniline 852.0
    1,3-propanediol 594.85
    bromobenzene 1040.23
    dibromomethane 1649.65
    1,1,2,2-tetrachloroethane 1167.0
    2-methyl-cyclohexyl acetate 417.31
    tetrabutyl urea 209.47
    diisobutyl methanol 401.16
    2-phenylethanol 507.78
    styrene 412.54
    dioctyl adipate 294.06
    dimethyl sulfate 331.65
    ethyl butyrate 709.12
    methyl lactate 314.56
    butyl lactate 261.33
    diethyl carbonate 425.49
    propanediol butyl ether 381.89
    triethyl orthoformate 512.34
    p-tert-butyltoluene 286.8
    methyl 4-tert-butylbenzoate 334.61
    morpholine 1823.39
    tert-butylamine 608.05
    n-dodecanol 186.7
    dimethoxymethane 1156.81
    ethylene carbonate 702.03
    cyrene 289.1
    2-ethoxyethyl acetate 690.85
    2-ethylhexyl acetate 749.11
    1,2,4-trichlorobenzene 659.3
    4-methylpyridine 1147.39
    dibutyl ether 665.2
    2,6-dimethyl-4-heptanol 401.16
    DEF 760.56
    dimethyl isosorbide 743.74
    tetrachloroethylene 956.88
    eugenol 299.85
    triacetin 470.87
    span 80 374.0
    1,4-butanediol 214.64
    1,1-dichloroethane 1324.86
    2-methyl-1-pentanol 408.76
    methyl formate 375.97
    2-methyl-1-butanol 599.12
    n-decane 126.35
    butyronitrile 924.96
    3,7-dimethyl-1-octanol 390.11
    1-chlorooctane 290.55
    1-chlorotetradecane 144.53
    n-nonane 132.87
    undecane 97.39
    tert-butylcyclohexane 178.82
    cyclooctane 343.63
    cyclopentanol 607.84
    tetrahydropyran 2013.59
    tert-amyl methyl ether 650.85
    2,5,8-trioxanonane 873.63
    1-hexene 565.92
    2-isopropoxyethanol 504.01
    2,2,2-trifluoroethanol 253.32
    methyl butyrate 546.85

    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