1,2-Dimethylcyclopropane, trans-

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  • Identifiers

    CAS number
    2402-06-4

    Molecular formula
    C5H10

    SMILES
    C[C@@H]1C[C@H]1C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 54.13%
    Woody 52.86%
    Fresh 49.75%
    Citrus 44.03%
    Spicy 43.85%
    Pine 38.57%
    Terpenic 36.56%
    Camphoreous 35.2%
    Mint 34.69%
    Green 34.63%

     

    Flavor
    Woody 41.92%
    Sweet 38.14%
    Pine 32.18%
    Camphor 30.05%
    Herbal 28.07%
    Dry 26.19%
    Green 24.64%
    Herb 24.4%
    Fir needle 24.02%
    Wood 23.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.41 (weak base)

    Molecular weight
    70.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    34°C

    Flash point

    • -50.05 ˚C est.

  • Synonyms

    • trans-1,2-Dimethylcyclopropane
    • 2402-06-4
    • C8KVY68YU3
    • 1,2-Dimethylcyclopropane, trans-
    • RefChem:1052300
    • (1R,2R)-1,2-dimethylcyclopropane
    • Cyclopropane, 1,2-dimethyl-, trans-
    • SCHEMBL598343
    • 1,2-trans-Dimethylcyclopropane
    • SCHEMBL6631127
    • trans-1 ,2-Dimethylcyclopropan
    • VKJLDXGFBJBTRQ-RFZPGFLSSA-N
    • DTXSID601026548
    • AKOS006272979
    • (1R)-trans-1,2-dimethyl-cyclopropane
    • Cyclopropane, 1,2-dimethyl-, (1R-trans)-
    • 2402-06-4

  • Applications

    1,2-Dimethylcyclopropane, trans- (CAS 2402-06-4) is primarily used as an intermediate in organic synthesis, enabling access to more complex cyclopropane-containing compounds. It is commonly evaluated as a chiral building block in pharmaceutical and agrochemical R&D, supporting the development of enantioenriched molecules. The compound can serve as a precursor or reference in materials research for specialized cyclopropane-containing monomers and advanced polymer systems. In laboratory settings, it is used as a model substrate and analytical reference material for method development and reaction screening. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.65
    methanol 74.95
    isopropanol 106.93
    water 0.12
    ethyl acetate 175.26
    n-propanol 125.04
    acetone 78.49
    n-butanol 140.15
    acetonitrile 81.28
    DMF 47.45
    toluene 100.2
    isobutanol 84.67
    1,4-dioxane 199.19
    methyl acetate 114.55
    THF 321.69
    2-butanone 126.55
    n-pentanol 90.05
    sec-butanol 132.72
    n-hexane 120.97
    ethylene glycol 21.23
    NMP 72.36
    cyclohexane 115.47
    DMSO 62.31
    n-butyl acetate 266.02
    n-octanol 87.7
    chloroform 360.38
    n-propyl acetate 101.17
    acetic acid 71.2
    dichloromethane 235.33
    cyclohexanone 138.0
    propylene glycol 50.3
    isopropyl acetate 127.37
    DMAc 68.86
    2-ethoxyethanol 92.12
    isopentanol 117.59
    n-heptane 190.74
    ethyl formate 55.43
    1,2-dichloroethane 138.93
    n-hexanol 222.04
    2-methoxyethanol 119.63
    isobutyl acetate 73.16
    tetrachloromethane 101.28
    n-pentyl acetate 93.66
    transcutol 386.58
    n-heptanol 92.61
    ethylbenzene 57.73
    MIBK 93.9
    2-propoxyethanol 237.07
    tert-butanol 141.28
    MTBE 190.6
    2-butoxyethanol 125.81
    propionic acid 92.21
    o-xylene 60.68
    formic acid 17.06
    diethyl ether 224.37
    m-xylene 69.95
    p-xylene 62.17
    chlorobenzene 96.06
    dimethyl carbonate 30.18
    n-octane 49.4
    formamide 22.06
    cyclopentanone 144.68
    2-pentanone 125.62
    anisole 90.49
    cyclopentyl methyl ether 165.69
    gamma-butyrolactone 128.19
    1-methoxy-2-propanol 127.45
    pyridine 167.42
    3-pentanone 105.98
    furfural 109.03
    n-dodecane 27.71
    diethylene glycol 107.53
    diisopropyl ether 115.59
    tert-amyl alcohol 149.32
    acetylacetone 108.21
    n-hexadecane 30.1
    acetophenone 65.36
    methyl propionate 95.88
    isopentyl acetate 193.93
    trichloroethylene 225.71
    n-nonanol 85.88
    cyclohexanol 112.75
    benzyl alcohol 58.46
    2-ethylhexanol 190.57
    isooctanol 76.04
    dipropyl ether 318.44
    1,2-dichlorobenzene 81.51
    ethyl lactate 49.57
    propylene carbonate 96.64
    n-methylformamide 34.1
    2-pentanol 125.13
    n-pentane 105.52
    1-propoxy-2-propanol 260.12
    1-methoxy-2-propyl acetate 195.64
    2-(2-methoxypropoxy) propanol 122.29
    mesitylene 50.95
    ε-caprolactone 139.68
    p-cymene 78.66
    epichlorohydrin 157.29
    1,1,1-trichloroethane 188.44
    2-aminoethanol 51.92
    morpholine-4-carbaldehyde 93.47
    sulfolane 108.01
    2,2,4-trimethylpentane 46.64
    2-methyltetrahydrofuran 246.51
    n-hexyl acetate 122.57
    isooctane 45.54
    2-(2-butoxyethoxy)ethanol 168.07
    sec-butyl acetate 91.91
    tert-butyl acetate 134.69
    decalin 50.26
    glycerin 53.23
    diglyme 236.72
    acrylic acid 59.89
    isopropyl myristate 72.62
    n-butyric acid 141.04
    acetyl acetate 101.03
    di(2-ethylhexyl) phthalate 48.0
    ethyl propionate 101.42
    nitromethane 68.77
    1,2-diethoxyethane 237.49
    benzonitrile 79.26
    trioctyl phosphate 38.51
    1-bromopropane 189.82
    gamma-valerolactone 133.74
    n-decanol 68.9
    triethyl phosphate 73.5
    4-methyl-2-pentanol 86.88
    propionitrile 117.0
    vinylene carbonate 71.03
    1,1,2-trichlorotrifluoroethane 119.53
    DMS 71.92
    cumene 45.15
    2-octanol 62.37
    2-hexanone 105.16
    octyl acetate 77.6
    limonene 127.75
    1,2-dimethoxyethane 144.42
    ethyl orthosilicate 84.11
    tributyl phosphate 49.14
    diacetone alcohol 120.71
    N,N-dimethylaniline 59.22
    acrylonitrile 87.21
    aniline 96.46
    1,3-propanediol 71.75
    bromobenzene 106.35
    dibromomethane 216.98
    1,1,2,2-tetrachloroethane 212.49
    2-methyl-cyclohexyl acetate 116.1
    tetrabutyl urea 51.83
    diisobutyl methanol 119.49
    2-phenylethanol 109.83
    styrene 69.52
    dioctyl adipate 76.29
    dimethyl sulfate 30.83
    ethyl butyrate 195.2
    methyl lactate 50.69
    butyl lactate 74.71
    diethyl carbonate 112.16
    propanediol butyl ether 90.85
    triethyl orthoformate 151.57
    p-tert-butyltoluene 80.13
    methyl 4-tert-butylbenzoate 78.23
    morpholine 213.49
    tert-butylamine 139.3
    n-dodecanol 56.41
    dimethoxymethane 71.35
    ethylene carbonate 70.74
    cyrene 61.82
    2-ethoxyethyl acetate 111.0
    2-ethylhexyl acetate 176.31
    1,2,4-trichlorobenzene 97.69
    4-methylpyridine 115.16
    dibutyl ether 178.87
    2,6-dimethyl-4-heptanol 119.49
    DEF 100.14
    dimethyl isosorbide 158.75
    tetrachloroethylene 144.85
    eugenol 70.02
    triacetin 97.83
    span 80 126.28
    1,4-butanediol 31.68
    1,1-dichloroethane 169.49
    2-methyl-1-pentanol 90.2
    methyl formate 23.16
    2-methyl-1-butanol 109.09
    n-decane 48.21
    butyronitrile 132.25
    3,7-dimethyl-1-octanol 105.3
    1-chlorooctane 87.7
    1-chlorotetradecane 42.28
    n-nonane 52.19
    undecane 34.98
    tert-butylcyclohexane 49.03
    cyclooctane 62.19
    cyclopentanol 104.66
    tetrahydropyran 261.65
    tert-amyl methyl ether 156.14
    2,5,8-trioxanonane 163.97
    1-hexene 171.22
    2-isopropoxyethanol 90.13
    2,2,2-trifluoroethanol 26.58
    methyl butyrate 101.99

    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