1-Methylbicyclo(3.1.0)hexane

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  • Identifiers

    CAS number
    4625-24-5

    Molecular formula
    C7H12

    SMILES
    CC12CCCC1C2

    Safety labels

  • Odor profile

    Fragrance
    Woody 62.08%
    Dry 45.42%
    Amber 39.77%
    Sweet 39.42%
    Green 38.08%
    Musk 29.65%
    Waxy 28.13%
    Fresh 25.67%
    Cedar 25.66%
    Spicy 24.14%

     

    Flavor
    Sweet 36.99%
    Dry 32.05%
    Fir needle 24.27%
    Old paper 23.45%
    Earthy 21.18%
    Beet 20.77%
    Soil 20.59%
    Patchouli 20.4%
    Terpenic 20.28%
    Alkane 20.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.44 (weak base)

    Molecular weight
    96.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    93°C

    Flash point

    • 6.33 ˚C est.

  • Synonyms

    • 1-methylbicyclo[3.1.0]hexane
    • 1-Methylbicyclo(3.1.0)hexane
    • 4625-24-5
    • DTXSID10963531
    • RefChem:1055835
    • DTXCID601391280
    • SCHEMBL6587006
    • SCHEMBL6587010
    • SCHEMBL8190497
    • SCHEMBL9843327
    • SCHEMBL17048611
    • 1-Methyl-bicyclo[3.1.0]-hexane
    • Bicyclo[3.1.0]hexane, 1-methyl-
    • 4625-24-5

  • Applications

    1-Methylbicyclo(3.1.0)hexane, CAS 4625-24-5, is an aliphatic bicyclic hydrocarbon evaluated for several industrial applications: as an organic-synthesis intermediate to build frameworks used in pharmaceuticals, agrochemicals, and specialty chemicals; as a non-polar solvent or diluent in industrial formulations, coatings and inks, and cleaning products; as a precursor for polymer chemistry or as a building block in specialty polymers; and as an analytical reference material or calibration standard in chemical laboratories. Application scope is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1046.71
    methanol 649.52
    isopropanol 895.14
    water 1.35
    ethyl acetate 1369.53
    n-propanol 948.1
    acetone 600.28
    n-butanol 974.47
    acetonitrile 724.25
    DMF 317.43
    toluene 565.56
    isobutanol 608.41
    1,4-dioxane 1488.5
    methyl acetate 855.52
    THF 1450.69
    2-butanone 747.72
    n-pentanol 567.54
    sec-butanol 785.47
    n-hexane 362.1
    ethylene glycol 193.64
    NMP 188.81
    cyclohexane 353.71
    DMSO 317.87
    n-butyl acetate 1035.94
    n-octanol 407.53
    chloroform 1557.27
    n-propyl acetate 519.41
    acetic acid 430.42
    dichloromethane 995.29
    cyclohexanone 511.98
    propylene glycol 359.78
    isopropyl acetate 898.28
    DMAc 337.53
    2-ethoxyethanol 705.87
    isopentanol 780.66
    n-heptane 403.02
    ethyl formate 418.08
    1,2-dichloroethane 633.63
    n-hexanol 1075.79
    2-methoxyethanol 1020.49
    isobutyl acetate 360.11
    tetrachloromethane 406.88
    n-pentyl acetate 387.54
    transcutol 2487.46
    n-heptanol 407.42
    ethylbenzene 255.31
    MIBK 586.33
    2-propoxyethanol 1381.85
    tert-butanol 969.54
    MTBE 1208.91
    2-butoxyethanol 636.02
    propionic acid 546.09
    o-xylene 277.31
    formic acid 137.68
    diethyl ether 1689.29
    m-xylene 397.86
    p-xylene 255.13
    chlorobenzene 428.82
    dimethyl carbonate 248.78
    n-octane 126.94
    formamide 213.03
    cyclopentanone 505.15
    2-pentanone 754.17
    anisole 505.99
    cyclopentyl methyl ether 721.8
    gamma-butyrolactone 498.84
    1-methoxy-2-propanol 1016.35
    pyridine 854.54
    3-pentanone 574.02
    furfural 420.07
    n-dodecane 84.41
    diethylene glycol 772.87
    diisopropyl ether 707.27
    tert-amyl alcohol 694.91
    acetylacetone 640.16
    n-hexadecane 91.31
    acetophenone 275.35
    methyl propionate 716.21
    isopentyl acetate 807.68
    trichloroethylene 895.35
    n-nonanol 381.66
    cyclohexanol 510.48
    benzyl alcohol 310.84
    2-ethylhexanol 680.02
    isooctanol 319.45
    dipropyl ether 1253.59
    1,2-dichlorobenzene 319.36
    ethyl lactate 241.15
    propylene carbonate 378.99
    n-methylformamide 297.17
    2-pentanol 797.71
    n-pentane 429.72
    1-propoxy-2-propanol 1271.06
    1-methoxy-2-propyl acetate 1078.3
    2-(2-methoxypropoxy) propanol 551.01
    mesitylene 278.07
    ε-caprolactone 589.86
    p-cymene 248.77
    epichlorohydrin 737.94
    1,1,1-trichloroethane 786.83
    2-aminoethanol 435.81
    morpholine-4-carbaldehyde 459.34
    sulfolane 276.55
    2,2,4-trimethylpentane 160.54
    2-methyltetrahydrofuran 1040.97
    n-hexyl acetate 533.99
    isooctane 198.03
    2-(2-butoxyethoxy)ethanol 879.85
    sec-butyl acetate 480.83
    tert-butyl acetate 805.77
    decalin 144.97
    glycerin 374.08
    diglyme 1236.54
    acrylic acid 327.12
    isopropyl myristate 277.01
    n-butyric acid 812.24
    acetyl acetate 633.4
    di(2-ethylhexyl) phthalate 168.34
    ethyl propionate 574.31
    nitromethane 516.14
    1,2-diethoxyethane 1405.76
    benzonitrile 341.86
    trioctyl phosphate 129.82
    1-bromopropane 815.02
    gamma-valerolactone 633.31
    n-decanol 295.18
    triethyl phosphate 244.09
    4-methyl-2-pentanol 552.29
    propionitrile 855.7
    vinylene carbonate 344.1
    1,1,2-trichlorotrifluoroethane 489.91
    DMS 399.28
    cumene 184.29
    2-octanol 258.82
    2-hexanone 447.78
    octyl acetate 306.06
    limonene 351.85
    1,2-dimethoxyethane 879.15
    ethyl orthosilicate 288.46
    tributyl phosphate 174.07
    diacetone alcohol 629.75
    N,N-dimethylaniline 264.15
    acrylonitrile 652.91
    aniline 532.35
    1,3-propanediol 617.67
    bromobenzene 458.78
    dibromomethane 849.94
    1,1,2,2-tetrachloroethane 829.33
    2-methyl-cyclohexyl acetate 360.31
    tetrabutyl urea 174.29
    diisobutyl methanol 446.09
    2-phenylethanol 489.61
    styrene 320.98
    dioctyl adipate 267.43
    dimethyl sulfate 174.59
    ethyl butyrate 765.13
    methyl lactate 323.87
    butyl lactate 279.87
    diethyl carbonate 446.48
    propanediol butyl ether 448.76
    triethyl orthoformate 578.41
    p-tert-butyltoluene 258.78
    methyl 4-tert-butylbenzoate 307.63
    morpholine 1474.91
    tert-butylamine 852.26
    n-dodecanol 233.44
    dimethoxymethane 674.5
    ethylene carbonate 367.9
    cyrene 213.67
    2-ethoxyethyl acetate 590.26
    2-ethylhexyl acetate 633.66
    1,2,4-trichlorobenzene 341.61
    4-methylpyridine 584.93
    dibutyl ether 719.67
    2,6-dimethyl-4-heptanol 446.09
    DEF 514.41
    dimethyl isosorbide 605.62
    tetrachloroethylene 568.71
    eugenol 264.49
    triacetin 420.28
    span 80 459.65
    1,4-butanediol 231.82
    1,1-dichloroethane 879.47
    2-methyl-1-pentanol 471.49
    methyl formate 195.56
    2-methyl-1-butanol 649.96
    n-decane 136.86
    butyronitrile 864.0
    3,7-dimethyl-1-octanol 471.93
    1-chlorooctane 302.3
    1-chlorotetradecane 139.16
    n-nonane 145.62
    undecane 104.2
    tert-butylcyclohexane 145.04
    cyclooctane 193.37
    cyclopentanol 440.34
    tetrahydropyran 1419.31
    tert-amyl methyl ether 736.08
    2,5,8-trioxanonane 824.73
    1-hexene 619.71
    2-isopropoxyethanol 584.24
    2,2,2-trifluoroethanol 157.14
    methyl butyrate 497.07

    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