Bicyclo(4.1.0)heptane

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  • Identifiers

    CAS number
    286-08-8

    Molecular formula
    C7H12

    SMILES
    C1CCC2CC2C1

    Safety labels

  • Odor profile

    Fragrance
    Sweet 40.89%
    Dry 38.66%
    Woody 35.04%
    Musk 32.27%
    Amber 30.6%
    Waxy 28.76%
    Citrus 25.83%
    Animal 25.66%
    Fresh 22.31%
    Clean 21.83%

     

    Flavor
    Animal 27.71%
    Alkaline 21.16%
    Shrimp 19.84%
    Ammoniacal 19.72%
    Sweet 19.01%
    Rotten 18.17%
    Beet 18.17%
    Soil 18.03%
    Tar 17.77%
    Old paper 17.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.17 (weak base)

    Molecular weight
    96.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    107°C

    Flash point

    • 5.15 ˚C est.

  • Synonyms

    • Bicyclo[4.1.0]heptane
    • 286-08-8
    • BICYCLO(4.1.0)HEPTANE
    • DTXSID10870493
    • RefChem:1079817
    • DTXCID30818211
    • 14214-86-9
    • Butanal, 2,3-dihydroxy-
    • 2,3-Dihydroxybutyraldehyde
    • SCHEMBL8797
    • SCHEMBL38786
    • SCHEMBL205204
    • SCHEMBL318385
    • SCHEMBL318651
    • SCHEMBL1065644
    • WPHGSKGZRAQSGP-UHFFFAOYSA-N
    • NSC143399
    • AKOS015840955
    • DB-067952
    • 286N088
    • Q680932
    • 286-08-8

  • Applications

    Bicyclo(4.1.0)heptane is primarily used as a synthetic intermediate in organic synthesis, providing a rigid bicyclic aliphatic framework from which more complex cyclic hydrocarbons can be prepared. In industry it is commonly evaluated as a building block or feedstock for specialty chemical development, including the preparation of derivatives used in advanced polymers/plastics to impart rigidity and unique topology. It may serve as a nonpolar component or precursor in coatings and inks formulations where a compact hydrocarbon moiety can influence properties such as hardness or solvent compatibility. In R&D settings it functions as a research reagent to explore structure–property relationships of bicyclic hydrocarbons, and its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 111.96
    methanol 86.78
    isopropanol 92.54
    water 0.11
    ethyl acetate 300.19
    n-propanol 125.1
    acetone 113.83
    n-butanol 128.45
    acetonitrile 139.99
    DMF 77.09
    toluene 194.99
    isobutanol 81.87
    1,4-dioxane 390.13
    methyl acetate 177.49
    THF 444.39
    2-butanone 154.98
    n-pentanol 81.88
    sec-butanol 103.46
    n-hexane 69.78
    ethylene glycol 27.62
    NMP 84.3
    cyclohexane 107.95
    DMSO 113.19
    n-butyl acetate 278.38
    n-octanol 60.55
    chloroform 680.97
    n-propyl acetate 150.68
    acetic acid 101.69
    dichloromethane 525.9
    cyclohexanone 194.14
    propylene glycol 48.6
    isopropyl acetate 187.98
    DMAc 87.61
    2-ethoxyethanol 127.73
    isopentanol 110.94
    n-heptane 93.62
    ethyl formate 100.84
    1,2-dichloroethane 310.25
    n-hexanol 148.94
    2-methoxyethanol 164.54
    isobutyl acetate 103.83
    tetrachloromethane 142.43
    n-pentyl acetate 101.91
    transcutol 571.47
    n-heptanol 64.72
    ethylbenzene 87.6
    MIBK 128.71
    2-propoxyethanol 238.19
    tert-butanol 120.04
    MTBE 179.76
    2-butoxyethanol 117.36
    propionic acid 114.9
    o-xylene 98.6
    formic acid 23.19
    diethyl ether 304.58
    m-xylene 117.35
    p-xylene 96.46
    chlorobenzene 180.9
    dimethyl carbonate 61.41
    n-octane 29.15
    formamide 39.09
    cyclopentanone 208.54
    2-pentanone 161.58
    anisole 158.49
    cyclopentyl methyl ether 204.33
    gamma-butyrolactone 232.37
    1-methoxy-2-propanol 161.25
    pyridine 329.58
    3-pentanone 143.55
    furfural 204.9
    n-dodecane 18.09
    diethylene glycol 141.69
    diisopropyl ether 117.46
    tert-amyl alcohol 103.36
    acetylacetone 203.63
    n-hexadecane 20.58
    acetophenone 110.32
    methyl propionate 154.66
    isopentyl acetate 208.44
    trichloroethylene 502.23
    n-nonanol 62.71
    cyclohexanol 110.67
    benzyl alcohol 90.42
    2-ethylhexanol 117.33
    isooctanol 55.5
    dipropyl ether 280.95
    1,2-dichlorobenzene 160.32
    ethyl lactate 64.08
    propylene carbonate 163.38
    n-methylformamide 55.83
    2-pentanol 105.83
    n-pentane 71.58
    1-propoxy-2-propanol 217.08
    1-methoxy-2-propyl acetate 257.18
    2-(2-methoxypropoxy) propanol 128.74
    mesitylene 79.73
    ε-caprolactone 205.2
    p-cymene 83.5
    epichlorohydrin 299.77
    1,1,1-trichloroethane 311.79
    2-aminoethanol 64.28
    morpholine-4-carbaldehyde 155.74
    sulfolane 168.27
    2,2,4-trimethylpentane 28.97
    2-methyltetrahydrofuran 285.5
    n-hexyl acetate 120.98
    isooctane 32.33
    2-(2-butoxyethoxy)ethanol 188.85
    sec-butyl acetate 124.42
    tert-butyl acetate 184.36
    decalin 45.48
    glycerin 65.02
    diglyme 346.78
    acrylic acid 90.59
    isopropyl myristate 71.4
    n-butyric acid 188.01
    acetyl acetate 212.88
    di(2-ethylhexyl) phthalate 52.38
    ethyl propionate 157.47
    nitromethane 132.94
    1,2-diethoxyethane 335.5
    benzonitrile 135.15
    trioctyl phosphate 36.06
    1-bromopropane 270.11
    gamma-valerolactone 243.79
    n-decanol 48.77
    triethyl phosphate 88.78
    4-methyl-2-pentanol 77.57
    propionitrile 179.42
    vinylene carbonate 143.15
    1,1,2-trichlorotrifluoroethane 194.42
    DMS 114.71
    cumene 63.19
    2-octanol 41.29
    2-hexanone 125.32
    octyl acetate 74.4
    limonene 112.37
    1,2-dimethoxyethane 245.15
    ethyl orthosilicate 95.55
    tributyl phosphate 51.9
    diacetone alcohol 136.71
    N,N-dimethylaniline 86.61
    acrylonitrile 164.01
    aniline 147.44
    1,3-propanediol 95.3
    bromobenzene 213.84
    dibromomethane 392.12
    1,1,2,2-tetrachloroethane 382.78
    2-methyl-cyclohexyl acetate 129.22
    tetrabutyl urea 52.98
    diisobutyl methanol 95.26
    2-phenylethanol 120.29
    styrene 114.88
    dioctyl adipate 87.12
    dimethyl sulfate 64.49
    ethyl butyrate 243.18
    methyl lactate 71.65
    butyl lactate 76.43
    diethyl carbonate 158.88
    propanediol butyl ether 85.19
    triethyl orthoformate 175.38
    p-tert-butyltoluene 81.77
    methyl 4-tert-butylbenzoate 98.4
    morpholine 331.5
    tert-butylamine 102.67
    n-dodecanol 40.06
    dimethoxymethane 140.92
    ethylene carbonate 141.58
    cyrene 73.21
    2-ethoxyethyl acetate 163.33
    2-ethylhexyl acetate 175.16
    1,2,4-trichlorobenzene 180.71
    4-methylpyridine 209.67
    dibutyl ether 161.0
    2,6-dimethyl-4-heptanol 95.26
    DEF 138.85
    dimethyl isosorbide 198.75
    tetrachloroethylene 285.31
    eugenol 83.13
    triacetin 132.53
    span 80 111.85
    1,4-butanediol 35.06
    1,1-dichloroethane 286.98
    2-methyl-1-pentanol 76.55
    methyl formate 42.95
    2-methyl-1-butanol 95.72
    n-decane 30.9
    butyronitrile 172.42
    3,7-dimethyl-1-octanol 78.26
    1-chlorooctane 67.42
    1-chlorotetradecane 33.38
    n-nonane 32.2
    undecane 22.54
    tert-butylcyclohexane 37.53
    cyclooctane 56.5
    cyclopentanol 98.67
    tetrahydropyran 358.35
    tert-amyl methyl ether 133.02
    2,5,8-trioxanonane 238.28
    1-hexene 128.47
    2-isopropoxyethanol 107.44
    2,2,2-trifluoroethanol 41.72
    methyl butyrate 153.08

    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