1,5-Cyclooctadiene

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  • Identifiers

    CAS number
    111-78-4

    Molecular formula
    C8H12

    SMILES
    C1/C=C\CC/C=C\C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Citrus 48.78%
    Sweet 37.9%
    Gassy 35.54%
    Dry 25.35%
    Musk 23.34%
    Lemon 22.44%
    Warm 16.44%
    Waxy 15.59%
    Amber 14.18%
    Balsamic 13.84%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    108.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -70 TO -69 °C

    Boiling point

    • 150.8 °C @ 757 MM HG

    Flash point est.
    35.42 ˚C

    Flash point expt.

    • 95 °F
    • 95 °F.

    Solubility expt.

    • INSOL IN WATER; SOL IN BENZENE, CARBON TETRACHLORIDE

  • Synonyms

    • 1,5-CYCLOOCTADIENE
    • Cycloocta-1,5-diene
    • 111-78-4
    • (1Z,5Z)-cycloocta-1,5-diene
    • 1552-12-1
    • cis,cis-1,5-Cyclooctadiene
    • cis-1,5-cyclooctadiene
    • 1,5-COD
    • (Z,Z)-1,5-Cyclooctadiene
    • HSDB 5549
    • EINECS 203-907-1
    • NSC 60155
    • BRN 1209288
    • 1E1VVD385Z
    • AI3-26692
    • 1,5-cyclooctadiene, (1Z,5Z)-
    • NSC-60155
    • DTXSID0026888
    • 1,5-CYCLOOCTADIENE [MI]
    • EC 203-907-1
    • 17612-50-9
    • 1,5-CYCLOOCTADIENE [HSDB]
    • 4-05-00-00403 (Beilstein Handbook Reference)
    • 1,5-Cyclooctadiene, (E,E)-
    • (Z,Z)-Cycloocta-1,5-diene
    • MFCD00001752
    • UNII-1E1VVD385Z
    • (1Z,5Z)-1,5-Cyclooctadiene
    • Cycloocta1,5diene
    • 1.5-cyclooctadiene
    • 1,5COD
    • DTXCID806888
    • DTXCID20809673
    • NSC60155
    • Tox21_201015
    • AKOS000121144
    • NCGC00248897-01
    • NCGC00258568-01
    • BP-20393
    • BS-21545
    • CAS-111-78-4
    • DB-200078
    • EN300-26087
    • cis,cis-1,5-Cyclooctadiene, >=98.0% (GC)
    • EN300-658496
    • Q161547
    • 1,5-Cyclooctadiene, purified by redistillation, >=99%
    • F0001-0246
    • 1,5-Cyclooctadiene, contains 50-150 ppm 4-tert-Butylcatechol, 99%
    • InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7
    • 203-907-1
    • 216-291-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.74
    methanol 46.52
    isopropanol 51.76
    water 0.02
    ethyl acetate 312.01
    n-propanol 75.3
    acetone 220.73
    n-butanol 90.24
    acetonitrile 123.38
    DMF 223.15
    toluene 385.71
    isobutanol 58.9
    1,4-dioxane 473.75
    methyl acetate 190.2
    THF 978.99
    2-butanone 245.78
    n-pentanol 73.18
    sec-butanol 76.81
    n-hexane 262.17
    ethylene glycol 8.61
    NMP 507.24
    cyclohexane 498.02
    DMSO 267.39
    n-butyl acetate 560.96
    n-octanol 76.0
    chloroform 832.4
    n-propyl acetate 245.45
    acetic acid 88.31
    dichloromethane 779.1
    cyclohexanone 556.66
    propylene glycol 15.89
    isopropyl acetate 223.45
    DMAc 202.09
    2-ethoxyethanol 88.68
    isopentanol 87.35
    n-heptane 430.37
    ethyl formate 112.01
    1,2-dichloroethane 513.28
    n-hexanol 172.6
    2-methoxyethanol 119.02
    isobutyl acetate 180.52
    tetrachloromethane 254.39
    n-pentyl acetate 216.33
    transcutol 530.61
    n-heptanol 73.58
    ethylbenzene 176.92
    MIBK 188.72
    2-propoxyethanol 202.08
    tert-butanol 91.55
    MTBE 211.51
    2-butoxyethanol 107.18
    propionic acid 93.79
    o-xylene 204.37
    formic acid 12.11
    diethyl ether 403.51
    m-xylene 203.63
    p-xylene 199.1
    chlorobenzene 371.88
    dimethyl carbonate 80.0
    n-octane 102.75
    formamide 23.99
    cyclopentanone 684.1
    2-pentanone 267.76
    anisole 226.12
    cyclopentyl methyl ether 595.27
    gamma-butyrolactone 605.54
    1-methoxy-2-propanol 115.42
    pyridine 518.61
    3-pentanone 266.15
    furfural 410.2
    n-dodecane 49.33
    diethylene glycol 77.11
    diisopropyl ether 173.49
    tert-amyl alcohol 101.59
    acetylacetone 289.53
    n-hexadecane 58.48
    acetophenone 200.84
    methyl propionate 202.35
    isopentyl acetate 390.46
    trichloroethylene 819.07
    n-nonanol 80.22
    cyclohexanol 164.54
    benzyl alcohol 101.25
    2-ethylhexanol 199.47
    isooctanol 72.08
    dipropyl ether 690.93
    1,2-dichlorobenzene 336.18
    ethyl lactate 66.72
    propylene carbonate 365.21
    n-methylformamide 70.75
    2-pentanol 86.77
    n-pentane 177.31
    1-propoxy-2-propanol 231.23
    1-methoxy-2-propyl acetate 326.53
    2-(2-methoxypropoxy) propanol 137.89
    mesitylene 145.45
    ε-caprolactone 430.32
    p-cymene 187.36
    epichlorohydrin 558.11
    1,1,1-trichloroethane 572.62
    2-aminoethanol 22.85
    morpholine-4-carbaldehyde 358.91
    sulfolane 703.35
    2,2,4-trimethylpentane 68.28
    2-methyltetrahydrofuran 753.41
    n-hexyl acetate 241.4
    isooctane 59.72
    2-(2-butoxyethoxy)ethanol 179.79
    sec-butyl acetate 191.06
    tert-butyl acetate 254.32
    decalin 163.63
    glycerin 22.96
    diglyme 384.26
    acrylic acid 76.83
    isopropyl myristate 148.51
    n-butyric acid 161.67
    acetyl acetate 222.62
    di(2-ethylhexyl) phthalate 86.38
    ethyl propionate 230.76
    nitromethane 166.41
    1,2-diethoxyethane 507.37
    benzonitrile 204.74
    trioctyl phosphate 68.07
    1-bromopropane 531.24
    gamma-valerolactone 502.71
    n-decanol 66.66
    triethyl phosphate 164.64
    4-methyl-2-pentanol 64.87
    propionitrile 156.42
    vinylene carbonate 263.61
    1,1,2-trichlorotrifluoroethane 262.18
    DMS 184.96
    cumene 113.34
    2-octanol 59.0
    2-hexanone 241.33
    octyl acetate 146.45
    limonene 369.28
    1,2-dimethoxyethane 292.83
    ethyl orthosilicate 171.62
    tributyl phosphate 106.67
    diacetone alcohol 161.57
    N,N-dimethylaniline 162.39
    acrylonitrile 149.71
    aniline 190.21
    1,3-propanediol 37.84
    bromobenzene 496.12
    dibromomethane 659.5
    1,1,2,2-tetrachloroethane 673.75
    2-methyl-cyclohexyl acetate 275.0
    tetrabutyl urea 141.89
    diisobutyl methanol 163.57
    2-phenylethanol 148.54
    styrene 228.63
    dioctyl adipate 176.68
    dimethyl sulfate 132.71
    ethyl butyrate 454.71
    methyl lactate 61.2
    butyl lactate 101.66
    diethyl carbonate 240.25
    propanediol butyl ether 67.11
    triethyl orthoformate 294.14
    p-tert-butyltoluene 180.35
    methyl 4-tert-butylbenzoate 160.92
    morpholine 422.85
    tert-butylamine 96.03
    n-dodecanol 60.18
    dimethoxymethane 204.34
    ethylene carbonate 235.34
    cyrene 130.37
    2-ethoxyethyl acetate 233.86
    2-ethylhexyl acetate 401.82
    1,2,4-trichlorobenzene 358.22
    4-methylpyridine 438.03
    dibutyl ether 386.77
    2,6-dimethyl-4-heptanol 163.57
    DEF 296.87
    dimethyl isosorbide 370.29
    tetrachloroethylene 464.57
    eugenol 118.01
    triacetin 202.18
    span 80 148.85
    1,4-butanediol 16.44
    1,1-dichloroethane 450.21
    2-methyl-1-pentanol 83.82
    methyl formate 65.42
    2-methyl-1-butanol 86.75
    n-decane 89.36
    butyronitrile 176.88
    3,7-dimethyl-1-octanol 121.15
    1-chlorooctane 177.54
    1-chlorotetradecane 84.44
    n-nonane 103.67
    undecane 63.28
    tert-butylcyclohexane 122.99
    cyclooctane 234.05
    cyclopentanol 167.28
    tetrahydropyran 672.3
    tert-amyl methyl ether 207.09
    2,5,8-trioxanonane 281.56
    1-hexene 349.58
    2-isopropoxyethanol 79.74
    2,2,2-trifluoroethanol 30.6
    methyl butyrate 266.63

    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