5-Methyl-2-undecene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    56851-34-4

    Molecular formula
    C12H24

    SMILES
    CCCCCCC(C)CC=CC

    Safety labels

  • Odor profile

    Fragrance
    Citrus 46.64%
    Herbal 44.58%
    Gassy 42.86%
    Waxy 34.03%
    Fresh 33.6%
    Floral 29.53%
    Sweet 27.62%
    Oily 27.4%
    Green 26.68%
    Lemon 24.85%

     

    Flavor
    Citrus 28.81%
    Alkane 27.47%
    Waxy 25.02%
    Delicate 22.88%
    Fresh 22.58%
    Low 21.34%
    Diterpene 21.16%
    Oriental 20.76%
    Opoponax 20.51%
    Leathery 20.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    9.19 (weak base)

    Molecular weight
    168.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 73.25 ˚C est.

  • Synonyms

    • 5-Methyl-2-undecene
    • 56851-34-4
    • SCHEMBL2002591
    • DTXSID001384130
    • DB-306787
    • 56851-34-4

  • Applications

    5-Methyl-2-undecene is a branched, unsaturated hydrocarbon (alkene) with 12 carbon atoms. Practical applications are centered on being an intermediate and fragrance-related raw material in industrial chemistry. In perfumery, it is evaluated as an odorant or fragrance precursor to support the development of complex aroma notes. In chemical synthesis, it can serve as an intermediate for the preparation of aroma-related compounds and other specialty chemicals. In industrial manufacturing, it can be used as a non-polar solvent or reactive diluent for coatings and inks formulations, and as a building block for plastics and polymers when functionalized. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4788.19
    methanol 1670.61
    isopropanol 6430.14
    water 0.01
    ethyl acetate 10897.77
    n-propanol 5564.55
    acetone 9861.96
    n-butanol 8438.27
    acetonitrile 3550.68
    DMF 3178.37
    toluene 7664.69
    isobutanol 5465.85
    1,4-dioxane 13355.48
    methyl acetate 5362.16
    THF 24508.3
    2-butanone 10103.8
    n-pentanol 5901.25
    sec-butanol 8296.44
    n-hexane 20670.95
    ethylene glycol 138.16
    NMP 2398.06
    cyclohexane 22905.87
    DMSO 4425.72
    n-butyl acetate 23898.82
    n-octanol 3725.09
    chloroform 10511.9
    n-propyl acetate 7606.56
    acetic acid 1191.48
    dichloromethane 10363.4
    cyclohexanone 12355.75
    propylene glycol 478.34
    isopropyl acetate 9031.18
    DMAc 2727.11
    2-ethoxyethanol 3107.84
    isopentanol 9255.5
    n-heptane 20178.52
    ethyl formate 2446.08
    1,2-dichloroethane 10164.7
    n-hexanol 14350.22
    2-methoxyethanol 3769.83
    isobutyl acetate 5111.02
    tetrachloromethane 3264.1
    n-pentyl acetate 6538.8
    transcutol 13373.19
    n-heptanol 3906.49
    ethylbenzene 3814.66
    MIBK 8497.48
    2-propoxyethanol 8743.65
    tert-butanol 11907.76
    MTBE 27553.61
    2-butoxyethanol 3656.07
    propionic acid 1655.93
    o-xylene 3254.48
    formic acid 74.74
    diethyl ether 30459.91
    m-xylene 4436.89
    p-xylene 3853.75
    chlorobenzene 4267.71
    dimethyl carbonate 777.27
    n-octane 3962.27
    formamide 155.71
    cyclopentanone 8566.0
    2-pentanone 12398.08
    anisole 3974.78
    cyclopentyl methyl ether 15280.73
    gamma-butyrolactone 4866.38
    1-methoxy-2-propanol 4650.01
    pyridine 8485.09
    3-pentanone 7663.68
    furfural 2501.41
    n-dodecane 1379.59
    diethylene glycol 1634.25
    diisopropyl ether 12226.48
    tert-amyl alcohol 10006.9
    acetylacetone 6014.52
    n-hexadecane 1644.76
    acetophenone 2084.14
    methyl propionate 4661.85
    isopentyl acetate 17578.56
    trichloroethylene 9589.67
    n-nonanol 3352.41
    cyclohexanol 8680.26
    benzyl alcohol 1575.3
    2-ethylhexanol 13806.85
    isooctanol 3677.82
    dipropyl ether 34948.85
    1,2-dichlorobenzene 2960.24
    ethyl lactate 959.52
    propylene carbonate 2978.3
    n-methylformamide 945.55
    2-pentanol 9440.17
    n-pentane 13537.29
    1-propoxy-2-propanol 10813.88
    1-methoxy-2-propyl acetate 8446.87
    2-(2-methoxypropoxy) propanol 2308.95
    mesitylene 3258.11
    ε-caprolactone 8026.96
    p-cymene 4051.51
    epichlorohydrin 9002.81
    1,1,1-trichloroethane 11328.68
    2-aminoethanol 539.77
    morpholine-4-carbaldehyde 3325.81
    sulfolane 4472.18
    2,2,4-trimethylpentane 3546.7
    2-methyltetrahydrofuran 24657.79
    n-hexyl acetate 7820.67
    isooctane 3708.46
    2-(2-butoxyethoxy)ethanol 3820.7
    sec-butyl acetate 6125.16
    tert-butyl acetate 10524.73
    decalin 4633.82
    glycerin 376.1
    diglyme 7874.52
    acrylic acid 690.61
    isopropyl myristate 2974.0
    n-butyric acid 5688.58
    acetyl acetate 3239.04
    di(2-ethylhexyl) phthalate 1091.81
    ethyl propionate 5889.62
    nitromethane 1974.46
    1,2-diethoxyethane 18654.93
    benzonitrile 2701.83
    trioctyl phosphate 1211.26
    1-bromopropane 19010.07
    gamma-valerolactone 6802.98
    n-decanol 2520.61
    triethyl phosphate 2196.26
    4-methyl-2-pentanol 5478.79
    propionitrile 5235.08
    vinylene carbonate 1773.76
    1,1,2-trichlorotrifluoroethane 2512.43
    DMS 1844.07
    cumene 2305.23
    2-octanol 3157.4
    2-hexanone 10316.73
    octyl acetate 3122.74
    limonene 9998.74
    1,2-dimethoxyethane 11192.42
    ethyl orthosilicate 2979.1
    tributyl phosphate 1620.93
    diacetone alcohol 5266.73
    N,N-dimethylaniline 2345.8
    acrylonitrile 2913.24
    aniline 3639.45
    1,3-propanediol 1562.57
    bromobenzene 5534.17
    dibromomethane 11198.82
    1,1,2,2-tetrachloroethane 8783.07
    2-methyl-cyclohexyl acetate 5304.5
    tetrabutyl urea 1937.12
    diisobutyl methanol 7031.42
    2-phenylethanol 3376.41
    styrene 4407.69
    dioctyl adipate 2480.47
    dimethyl sulfate 766.7
    ethyl butyrate 13461.15
    methyl lactate 735.97
    butyl lactate 2182.64
    diethyl carbonate 4838.34
    propanediol butyl ether 1655.98
    triethyl orthoformate 7660.27
    p-tert-butyltoluene 4093.68
    methyl 4-tert-butylbenzoate 1857.76
    morpholine 15705.64
    tert-butylamine 13489.44
    n-dodecanol 2045.75
    dimethoxymethane 5103.32
    ethylene carbonate 2341.1
    cyrene 1051.8
    2-ethoxyethyl acetate 5058.17
    2-ethylhexyl acetate 15931.85
    1,2,4-trichlorobenzene 2826.58
    4-methylpyridine 8996.76
    dibutyl ether 18943.46
    2,6-dimethyl-4-heptanol 7031.42
    DEF 7357.85
    dimethyl isosorbide 3705.26
    tetrachloroethylene 5236.44
    eugenol 1289.54
    triacetin 2391.02
    span 80 2487.44
    1,4-butanediol 514.71
    1,1-dichloroethane 12008.81
    2-methyl-1-pentanol 5965.44
    methyl formate 635.83
    2-methyl-1-butanol 7358.71
    n-decane 3067.3
    butyronitrile 9734.71
    3,7-dimethyl-1-octanol 5272.3
    1-chlorooctane 6042.36
    1-chlorotetradecane 1917.11
    n-nonane 4040.52
    undecane 1937.92
    tert-butylcyclohexane 4145.37
    cyclooctane 7932.55
    cyclopentanol 5355.21
    tetrahydropyran 33226.02
    tert-amyl methyl ether 15560.38
    2,5,8-trioxanonane 3692.35
    1-hexene 27180.72
    2-isopropoxyethanol 3142.25
    2,2,2-trifluoroethanol 174.8
    methyl butyrate 7696.34

    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