Cycloheptene

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  • Identifiers

    CAS number
    628-92-2

    Molecular formula
    C7H12

    SMILES
    C1CCC=CCC1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 45.03%
    Citrus 43.32%
    Musk 39.14%
    Dry 33.27%
    Gassy 30.29%
    Amber 22.41%
    Waxy 19.45%
    Lemon 19.41%
    Animal 19.26%
    Powdery 18.15%

     

    Flavor
    Ammoniacal 26.18%
    Animal 24.12%
    Shrimp 20.2%
    Alkaline 19.07%
    Tarry 17.82%
    Tar 17.57%
    Rotten 17.44%
    Terpentine 17.13%
    Beet 16.77%
    Terpenic 16.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.92 (weak base)

    Molecular weight
    96.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    110°C

    Flash point

    • 13.48 ˚C est.

  • Synonyms

    • CYCLOHEPTENE
    • 628-92-2
    • cis-Cycloheptene
    • (Z)-Cycloheptene
    • 45509-99-7
    • Cycloheptene(Z)
    • KRY3SY05AH
    • NSC 5162
    • NSC-5162
    • EINECS 211-060-4
    • UNII-KRY3SY05AH
    • UN2242
    • (1Z)-CYCLOHEPTENE
    • DTXSID4074560
    • UN 2242
    • cisCycloheptene
    • RefChem:129516
    • DTXCID0043555
    • 211-060-4
    • InChI=1/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H
    • ZXIJMRYMVAMXQP-UHFFFAOYSA-N
    • MFCD00004156
    • cyclohept-1-ene
    • 1-Cycloheptene
    • 26426-65-3
    • (E)-1-Cycloheptene
    • trans-Cyclohepten
    • 1-Cycloheptene #
    • Cycloheptene, 97%
    • SCHEMBL3021
    • SCHEMBL28639
    • SCHEMBL145878
    • SCHEMBL302638
    • SCHEMBL380226
    • SCHEMBL977268
    • SCHEMBL977269
    • orb3026149
    • SCHEMBL4112851
    • SCHEMBL4507123
    • SCHEMBL6821672
    • SCHEMBL6821674
    • SCHEMBL6862177
    • SCHEMBL6862235
    • SCHEMBL7543061
    • SCHEMBL7545080
    • SCHEMBL8175683
    • SCHEMBL17911638
    • NSC5162
    • CHEBI:229325
    • SBB059889
    • AKOS009156390
    • BP-21367
    • DB-054316
    • C0688
    • Cycloheptene [UN2242] [Flammable liquid]
    • NS00035210
    • ST51046157
    • EN300-41579
    • D89286
    • A834070
    • Q867317
    • 628-92-2

  • Applications

    Cycloheptene (CAS number: 628-92-2) is primarily used as an organic synthesis intermediate to access cycloheptene derivatives and related cyclic frameworks, supporting pharmaceutical and agrochemical development. It also serves as a building block in polymer and resin chemistry, enabling the creation of specialty polymers and resins that incorporate the cycloheptene motif. Additionally, cycloheptene can be a precursor to cycloheptanone and other carbonyl-containing intermediates used in industrial manufacturing. In research and development, it is employed as a laboratory reagent for route scouting and process optimization in fine chemicals and materials science.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 238.7
    methanol 166.72
    isopropanol 183.33
    water 0.05
    ethyl acetate 789.32
    n-propanol 249.88
    acetone 280.07
    n-butanol 288.35
    acetonitrile 343.4
    DMF 241.36
    toluene 645.72
    isobutanol 159.83
    1,4-dioxane 918.76
    methyl acetate 382.09
    THF 1060.25
    2-butanone 404.87
    n-pentanol 194.26
    sec-butanol 253.94
    n-hexane 332.33
    ethylene glycol 30.36
    NMP 304.72
    cyclohexane 448.3
    DMSO 377.93
    n-butyl acetate 910.07
    n-octanol 153.96
    chloroform 1867.05
    n-propyl acetate 383.84
    acetic acid 175.36
    dichloromethane 1492.16
    cyclohexanone 524.71
    propylene glycol 58.18
    isopropyl acetate 453.91
    DMAc 259.31
    2-ethoxyethanol 225.12
    isopentanol 241.8
    n-heptane 462.82
    ethyl formate 203.72
    1,2-dichloroethane 919.21
    n-hexanol 397.0
    2-methoxyethanol 297.45
    isobutyl acetate 231.88
    tetrachloromethane 418.41
    n-pentyl acetate 330.33
    transcutol 1313.1
    n-heptanol 157.13
    ethylbenzene 299.06
    MIBK 310.59
    2-propoxyethanol 439.6
    tert-butanol 258.95
    MTBE 496.75
    2-butoxyethanol 223.24
    propionic acid 201.39
    o-xylene 306.64
    formic acid 28.26
    diethyl ether 1001.23
    m-xylene 354.51
    p-xylene 288.77
    chlorobenzene 601.63
    dimethyl carbonate 111.84
    n-octane 119.28
    formamide 49.29
    cyclopentanone 523.64
    2-pentanone 459.31
    anisole 424.38
    cyclopentyl methyl ether 653.48
    gamma-butyrolactone 529.79
    1-methoxy-2-propanol 286.35
    pyridine 1070.3
    3-pentanone 406.33
    furfural 512.24
    n-dodecane 58.96
    diethylene glycol 191.85
    diisopropyl ether 321.58
    tert-amyl alcohol 293.48
    acetylacetone 450.29
    n-hexadecane 66.76
    acetophenone 295.13
    methyl propionate 351.33
    isopentyl acetate 594.52
    trichloroethylene 1387.42
    n-nonanol 153.61
    cyclohexanol 277.68
    benzyl alcohol 191.61
    2-ethylhexanol 364.08
    isooctanol 135.0
    dipropyl ether 1021.58
    1,2-dichlorobenzene 510.87
    ethyl lactate 113.46
    propylene carbonate 375.62
    n-methylformamide 113.1
    2-pentanol 246.18
    n-pentane 270.52
    1-propoxy-2-propanol 454.85
    1-methoxy-2-propyl acetate 539.51
    2-(2-methoxypropoxy) propanol 268.64
    mesitylene 227.27
    ε-caprolactone 539.6
    p-cymene 243.8
    epichlorohydrin 737.15
    1,1,1-trichloroethane 995.8
    2-aminoethanol 78.2
    morpholine-4-carbaldehyde 418.41
    sulfolane 499.99
    2,2,4-trimethylpentane 88.79
    2-methyltetrahydrofuran 866.0
    n-hexyl acetate 356.73
    isooctane 87.66
    2-(2-butoxyethoxy)ethanol 387.19
    sec-butyl acetate 299.77
    tert-butyl acetate 431.07
    decalin 168.82
    glycerin 73.44
    diglyme 786.79
    acrylic acid 151.14
    isopropyl myristate 186.41
    n-butyric acid 410.54
    acetyl acetate 461.41
    di(2-ethylhexyl) phthalate 127.64
    ethyl propionate 396.18
    nitromethane 274.84
    1,2-diethoxyethane 1117.82
    benzonitrile 395.66
    trioctyl phosphate 88.01
    1-bromopropane 1006.29
    gamma-valerolactone 521.18
    n-decanol 117.79
    triethyl phosphate 221.52
    4-methyl-2-pentanol 158.61
    propionitrile 448.08
    vinylene carbonate 322.02
    1,1,2-trichlorotrifluoroethane 413.93
    DMS 251.89
    cumene 172.15
    2-octanol 113.4
    2-hexanone 354.09
    octyl acetate 200.52
    limonene 393.85
    1,2-dimethoxyethane 568.37
    ethyl orthosilicate 236.6
    tributyl phosphate 132.81
    diacetone alcohol 277.71
    N,N-dimethylaniline 250.44
    acrylonitrile 394.49
    aniline 374.27
    1,3-propanediol 130.75
    bromobenzene 805.74
    dibromomethane 1284.06
    1,1,2,2-tetrachloroethane 1180.13
    2-methyl-cyclohexyl acetate 337.35
    tetrabutyl urea 166.49
    diisobutyl methanol 241.78
    2-phenylethanol 301.35
    styrene 423.52
    dioctyl adipate 246.28
    dimethyl sulfate 153.28
    ethyl butyrate 757.04
    methyl lactate 109.42
    butyl lactate 164.73
    diethyl carbonate 431.56
    propanediol butyl ether 145.34
    triethyl orthoformate 498.16
    p-tert-butyltoluene 223.38
    methyl 4-tert-butylbenzoate 231.93
    morpholine 890.37
    tert-butylamine 238.93
    n-dodecanol 99.81
    dimethoxymethane 301.96
    ethylene carbonate 287.88
    cyrene 154.01
    2-ethoxyethyl acetate 414.04
    2-ethylhexyl acetate 550.24
    1,2,4-trichlorobenzene 513.27
    4-methylpyridine 766.04
    dibutyl ether 585.3
    2,6-dimethyl-4-heptanol 241.78
    DEF 469.49
    dimethyl isosorbide 440.68
    tetrachloroethylene 756.45
    eugenol 189.99
    triacetin 310.78
    span 80 276.9
    1,4-butanediol 43.37
    1,1-dichloroethane 817.72
    2-methyl-1-pentanol 211.47
    methyl formate 71.92
    2-methyl-1-butanol 245.13
    n-decane 105.96
    butyronitrile 514.24
    3,7-dimethyl-1-octanol 205.69
    1-chlorooctane 237.3
    1-chlorotetradecane 103.23
    n-nonane 121.95
    undecane 73.56
    tert-butylcyclohexane 125.58
    cyclooctane 236.5
    cyclopentanol 201.18
    tetrahydropyran 1042.73
    tert-amyl methyl ether 408.68
    2,5,8-trioxanonane 542.64
    1-hexene 607.05
    2-isopropoxyethanol 189.03
    2,2,2-trifluoroethanol 47.68
    methyl butyrate 412.08

    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