5-Methylundecane

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  • Identifiers

    CAS number
    1632-70-8

    Molecular formula
    C12H26

    SMILES
    CCCCCCC(C)CCCC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 47.91%
    Sweet 43.89%
    Gassy 41.18%
    Oily 27.38%
    Citrus 24.31%
    Fresh 23.63%
    Ethereal 20.27%
    Fatty 18.45%
    Fishy 18.04%
    Clean 17.42%

     

    Flavor
    Alkane 66.44%
    Waxy 34.17%
    Gasoline 27.22%
    Delicate 23.09%
    Incense 21.75%
    Citrus peel 21.68%
    Slightly waxy 21.37%
    Grapefruit peel 21.37%
    Skunky 21.26%
    Leathery 21.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    9.16 (weak base)

    Molecular weight
    170.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point

    • 75.09 ˚C est.

  • Synonyms

    • 5-Methylundecane
    • Undecane, 5-methyl-
    • 1632-70-8
    • NSC 158672
    • DTXSID201015959
    • Undecane, 5methyl
    • RefChem:537357
    • DTXCID101474112
    • 810-461-7
    • UNDECANE,5-METHYL-
    • Methylundecane
    • 5-methyl undecane
    • 5-methyl-undecane
    • NSC158672
    • SCHEMBL43468
    • SCHEMBL148380
    • SCHEMBL162540
    • SCHEMBL199794
    • SCHEMBL729773
    • SCHEMBL940976
    • SCHEMBL3337621
    • SCHEMBL3632794
    • SCHEMBL5984877
    • SCHEMBL7698918
    • SCHEMBL7736569
    • SCHEMBL21293882
    • SCHEMBL21293884
    • SCHEMBL28100159
    • SCHEMBL28937911
    • LMFA11000466
    • NSC-158672
    • 1632-70-8

  • Applications

    5-Methylundecane (CAS 1632-70-8) is a branched long-chain hydrocarbon commonly viewed as a nonpolar solvent and diluent for a range of industrial formulations. Real-world applications may include: serving as a solvent/carrier in coatings, inks, and adhesives; acting as a processing oil or base oil for polymers and plastics to adjust processing properties and flexibility; functioning as a nonpolar carrier solvent in cosmetics and personal care formulations; providing a base oil in lubricants and as an additive to modify plastic and rubber formulations; and supplying a cleaning solvent in industrial cleaning systems; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4539.49
    methanol 1489.33
    isopropanol 7044.96
    water 0.01
    ethyl acetate 13690.82
    n-propanol 6195.58
    acetone 13118.21
    n-butanol 9222.65
    acetonitrile 4404.26
    DMF 4762.05
    toluene 8825.65
    isobutanol 6602.59
    1,4-dioxane 16309.54
    methyl acetate 6915.01
    THF 33349.79
    2-butanone 13519.03
    n-pentanol 6281.18
    sec-butanol 8912.51
    n-hexane 28006.9
    ethylene glycol 121.04
    NMP 4190.64
    cyclohexane 32623.83
    DMSO 5728.31
    n-butyl acetate 37516.02
    n-octanol 4789.18
    chloroform 14471.34
    n-propyl acetate 11515.18
    acetic acid 1475.5
    dichloromethane 14208.62
    cyclohexanone 20824.99
    propylene glycol 448.53
    isopropyl acetate 12239.24
    DMAc 3878.86
    2-ethoxyethanol 3604.94
    isopentanol 10865.35
    n-heptane 33665.78
    ethyl formate 3725.59
    1,2-dichloroethane 14158.81
    n-hexanol 16666.54
    2-methoxyethanol 4424.11
    isobutyl acetate 8154.51
    tetrachloromethane 4823.42
    n-pentyl acetate 9936.7
    transcutol 15631.02
    n-heptanol 5221.83
    ethylbenzene 4994.7
    MIBK 11668.47
    2-propoxyethanol 10642.88
    tert-butanol 14494.43
    MTBE 33130.27
    2-butoxyethanol 5169.67
    propionic acid 2277.42
    o-xylene 4245.15
    formic acid 71.36
    diethyl ether 33540.48
    m-xylene 5177.42
    p-xylene 5794.9
    chlorobenzene 6249.2
    dimethyl carbonate 1117.71
    n-octane 6427.83
    formamide 175.99
    cyclopentanone 14770.93
    2-pentanone 16935.31
    anisole 5284.97
    cyclopentyl methyl ether 22330.16
    gamma-butyrolactone 8706.18
    1-methoxy-2-propanol 5413.61
    pyridine 11642.84
    3-pentanone 10904.48
    furfural 4099.2
    n-dodecane 2164.74
    diethylene glycol 1796.84
    diisopropyl ether 16191.9
    tert-amyl alcohol 12525.67
    acetylacetone 8605.62
    n-hexadecane 2637.51
    acetophenone 3167.0
    methyl propionate 6284.95
    isopentyl acetate 28745.85
    trichloroethylene 13669.34
    n-nonanol 4538.7
    cyclohexanol 11093.14
    benzyl alcohol 2078.57
    2-ethylhexanol 19749.57
    isooctanol 5259.77
    dipropyl ether 55063.12
    1,2-dichlorobenzene 4599.24
    ethyl lactate 1482.45
    propylene carbonate 5067.58
    n-methylformamide 1288.17
    2-pentanol 10266.04
    n-pentane 15657.34
    1-propoxy-2-propanol 15432.74
    1-methoxy-2-propyl acetate 11955.69
    2-(2-methoxypropoxy) propanol 2979.82
    mesitylene 4089.0
    ε-caprolactone 12418.13
    p-cymene 6162.43
    epichlorohydrin 12566.89
    1,1,1-trichloroethane 16845.65
    2-aminoethanol 549.89
    morpholine-4-carbaldehyde 4929.96
    sulfolane 7664.01
    2,2,4-trimethylpentane 4598.15
    2-methyltetrahydrofuran 33144.28
    n-hexyl acetate 10981.76
    isooctane 4758.43
    2-(2-butoxyethoxy)ethanol 5089.83
    sec-butyl acetate 9308.37
    tert-butyl acetate 15008.51
    decalin 7011.0
    glycerin 393.91
    diglyme 11072.64
    acrylic acid 964.85
    isopropyl myristate 4815.67
    n-butyric acid 7667.19
    acetyl acetate 4665.61
    di(2-ethylhexyl) phthalate 1571.93
    ethyl propionate 9195.76
    nitromethane 2771.31
    1,2-diethoxyethane 25025.49
    benzonitrile 4092.68
    trioctyl phosphate 1881.22
    1-bromopropane 24546.75
    gamma-valerolactone 11213.25
    n-decanol 3356.27
    triethyl phosphate 3921.14
    4-methyl-2-pentanol 6812.49
    propionitrile 7261.71
    vinylene carbonate 2892.54
    1,1,2-trichlorotrifluoroethane 3714.04
    DMS 2688.0
    cumene 3169.11
    2-octanol 4488.65
    2-hexanone 15321.3
    octyl acetate 4489.5
    limonene 15345.51
    1,2-dimethoxyethane 15499.12
    ethyl orthosilicate 5162.79
    tributyl phosphate 2611.13
    diacetone alcohol 7505.44
    N,N-dimethylaniline 3383.54
    acrylonitrile 4267.09
    aniline 4702.51
    1,3-propanediol 1646.33
    bromobenzene 7971.1
    dibromomethane 14940.39
    1,1,2,2-tetrachloroethane 13036.19
    2-methyl-cyclohexyl acetate 8547.78
    tetrabutyl urea 3308.77
    diisobutyl methanol 11150.69
    2-phenylethanol 4211.89
    styrene 5804.87
    dioctyl adipate 3951.42
    dimethyl sulfate 1199.05
    ethyl butyrate 22636.54
    methyl lactate 1008.88
    butyl lactate 3590.71
    diethyl carbonate 8267.84
    propanediol butyl ether 2163.67
    triethyl orthoformate 13816.18
    p-tert-butyltoluene 6255.03
    methyl 4-tert-butylbenzoate 2749.19
    morpholine 19096.87
    tert-butylamine 16773.67
    n-dodecanol 2793.95
    dimethoxymethane 6288.51
    ethylene carbonate 3945.88
    cyrene 1389.24
    2-ethoxyethyl acetate 6938.6
    2-ethylhexyl acetate 25612.28
    1,2,4-trichlorobenzene 4286.5
    4-methylpyridine 12585.86
    dibutyl ether 28605.46
    2,6-dimethyl-4-heptanol 11150.69
    DEF 10746.1
    dimethyl isosorbide 5196.05
    tetrachloroethylene 7720.18
    eugenol 1853.11
    triacetin 3518.88
    span 80 3437.99
    1,4-butanediol 553.17
    1,1-dichloroethane 16076.24
    2-methyl-1-pentanol 7181.19
    methyl formate 910.05
    2-methyl-1-butanol 8613.17
    n-decane 4941.55
    butyronitrile 12818.64
    3,7-dimethyl-1-octanol 7480.46
    1-chlorooctane 9215.38
    1-chlorotetradecane 2971.24
    n-nonane 6295.58
    undecane 3065.96
    tert-butylcyclohexane 6130.93
    cyclooctane 10757.64
    cyclopentanol 7798.14
    tetrahydropyran 42893.86
    tert-amyl methyl ether 19167.27
    2,5,8-trioxanonane 4810.21
    1-hexene 35656.26
    2-isopropoxyethanol 3959.03
    2,2,2-trifluoroethanol 249.93
    methyl butyrate 12523.16

    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