2-Methylundecane

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  • Identifiers

    CAS number
    7045-71-8

    Molecular formula
    C12H26

    SMILES
    CCCCCCCCCC(C)C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 56.26%
    Sweet 40.29%
    Gassy 35.29%
    Oily 28.84%
    Fresh 21.77%
    Fishy 20.97%
    Fatty 20.21%
    Citrus 20.01%
    Burnt 17.12%
    Clean 17.07%

     

    Flavor
    Alkane 57.81%
    Waxy 31.0%
    Gasoline 26.37%
    Delicate 23.41%
    Leathery 21.53%
    Slightly waxy 21.35%
    Grapefruit peel 21.09%
    Skunky 21.03%
    Incense 20.98%
    Coumarinic 20.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    9.12 (weak base)

    Molecular weight
    170.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    208°C

    Flash point

    • 75.14 ˚C est.

  • Synonyms

    • 2-Methylundecane
    • 7045-71-8
    • Undecane, 2-methyl-
    • H40FL8477B
    • EINECS 230-323-4
    • DTXSID50873241
    • Undecane, 2methyl
    • RefChem:476305
    • DTXCID5021590
    • 230-323-4
    • ISODODECANE
    • 31807-55-3
    • MFCD00036106
    • 2 2 4 6 6-PENTAMETHYLHEPTANE
    • 2-Methylhendecane
    • isodo-decane
    • UNII-H40FL8477B
    • EINECS 250-816-8
    • 2-METHYL UNDECANE
    • SCHEMBL36787
    • SCHEMBL56464
    • SCHEMBL137369
    • SCHEMBL198290
    • SCHEMBL739205
    • SCHEMBL1417513
    • SCHEMBL1683289
    • SCHEMBL3335340
    • SCHEMBL6239157
    • SCHEMBL6929297
    • SCHEMBL7724254
    • SCHEMBL8150764
    • SCHEMBL8461400
    • SCHEMBL9211077
    • SCHEMBL9213036
    • SCHEMBL11261440
    • SCHEMBL11329733
    • CHEBI:229354
    • HAA04571
    • AKOS015912736
    • FP171453
    • M0239
    • NS00007977
    • Q2813826
    • 7045-71-8

  • Applications

    2-Methylundecane (CAS 7045-71-8) is a branched hydrocarbon primarily used as a nonpolar solvent and diluent in a range of industrial formulations. In coatings, varnishes, and inks, it serves as a low-volatility carrier that helps adjust viscosity and pigment dispersion. In cleaning products and household formulations, it acts as a hydrocarbon solvent to dissolve nonpolar soils and waxy residues. In cosmetics and personal care, it can function as a solvent or carrier for fragrances and other actives, aiding solubility of nonpolar ingredients. In plastics and polymer processing, it may be used as a processing solvent or diluent in certain polymer production steps. Additionally, 2-Methylundecane can be a component of lubricants and specialty oils, contributing to lubricity and fluidity of the oil base.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2884.26
    methanol 948.81
    isopropanol 4326.13
    water 0.01
    ethyl acetate 8646.7
    n-propanol 3768.86
    acetone 7506.27
    n-butanol 5667.93
    acetonitrile 2292.2
    DMF 2617.4
    toluene 5690.58
    isobutanol 3912.3
    1,4-dioxane 10622.42
    methyl acetate 4078.1
    THF 22591.98
    2-butanone 7880.24
    n-pentanol 4164.32
    sec-butanol 5480.3
    n-hexane 20384.87
    ethylene glycol 77.77
    NMP 2705.34
    cyclohexane 23598.15
    DMSO 3547.6
    n-butyl acetate 24679.12
    n-octanol 3449.33
    chloroform 9507.54
    n-propyl acetate 7485.47
    acetic acid 954.92
    dichloromethane 9075.38
    cyclohexanone 12796.78
    propylene glycol 309.05
    isopropyl acetate 8022.62
    DMAc 2355.44
    2-ethoxyethanol 2424.05
    isopentanol 6791.48
    n-heptane 28245.63
    ethyl formate 2202.06
    1,2-dichloroethane 8624.13
    n-hexanol 11473.29
    2-methoxyethanol 2799.07
    isobutyl acetate 5601.3
    tetrachloromethane 3064.86
    n-pentyl acetate 6606.78
    transcutol 11289.34
    n-heptanol 3721.31
    ethylbenzene 3419.55
    MIBK 7635.87
    2-propoxyethanol 7279.96
    tert-butanol 9054.77
    MTBE 20407.95
    2-butoxyethanol 3619.19
    propionic acid 1409.02
    o-xylene 2920.5
    formic acid 46.53
    diethyl ether 20486.06
    m-xylene 3491.67
    p-xylene 4054.53
    chlorobenzene 3873.13
    dimethyl carbonate 674.32
    n-octane 5125.13
    formamide 105.67
    cyclopentanone 9088.93
    2-pentanone 10156.1
    anisole 3495.17
    cyclopentyl methyl ether 15401.66
    gamma-butyrolactone 5506.35
    1-methoxy-2-propanol 3517.73
    pyridine 6812.64
    3-pentanone 6550.76
    furfural 2684.88
    n-dodecane 1790.04
    diethylene glycol 1263.12
    diisopropyl ether 10891.83
    tert-amyl alcohol 7834.58
    acetylacetone 5584.46
    n-hexadecane 2164.21
    acetophenone 2202.46
    methyl propionate 3729.82
    isopentyl acetate 19204.21
    trichloroethylene 8438.63
    n-nonanol 3360.34
    cyclohexanol 7433.61
    benzyl alcohol 1399.77
    2-ethylhexanol 13941.97
    isooctanol 3803.33
    dipropyl ether 40500.03
    1,2-dichlorobenzene 2953.19
    ethyl lactate 1056.75
    propylene carbonate 3374.35
    n-methylformamide 720.0
    2-pentanol 6430.17
    n-pentane 10631.7
    1-propoxy-2-propanol 10912.41
    1-methoxy-2-propyl acetate 8428.79
    2-(2-methoxypropoxy) propanol 2348.43
    mesitylene 2846.64
    ε-caprolactone 8073.34
    p-cymene 4577.61
    epichlorohydrin 7985.36
    1,1,1-trichloroethane 10391.88
    2-aminoethanol 365.16
    morpholine-4-carbaldehyde 3231.84
    sulfolane 5228.8
    2,2,4-trimethylpentane 3328.23
    2-methyltetrahydrofuran 21606.92
    n-hexyl acetate 7501.6
    isooctane 3455.42
    2-(2-butoxyethoxy)ethanol 3876.21
    sec-butyl acetate 6421.9
    tert-butyl acetate 10139.01
    decalin 5491.22
    glycerin 276.09
    diglyme 8195.32
    acrylic acid 587.22
    isopropyl myristate 3796.75
    n-butyric acid 4763.01
    acetyl acetate 3108.84
    di(2-ethylhexyl) phthalate 1195.38
    ethyl propionate 5991.18
    nitromethane 1586.74
    1,2-diethoxyethane 16930.33
    benzonitrile 2557.09
    trioctyl phosphate 1438.56
    1-bromopropane 15269.18
    gamma-valerolactone 7085.47
    n-decanol 2521.87
    triethyl phosphate 3058.72
    4-methyl-2-pentanol 4434.67
    propionitrile 3909.7
    vinylene carbonate 1829.48
    1,1,2-trichlorotrifluoroethane 2551.61
    DMS 1886.77
    cumene 2332.56
    2-octanol 3110.58
    2-hexanone 9935.78
    octyl acetate 3458.65
    limonene 11565.5
    1,2-dimethoxyethane 10006.13
    ethyl orthosilicate 4012.84
    tributyl phosphate 1994.56
    diacetone alcohol 5058.11
    N,N-dimethylaniline 2406.3
    acrylonitrile 2263.96
    aniline 2922.38
    1,3-propanediol 1040.62
    bromobenzene 5063.92
    dibromomethane 9577.27
    1,1,2,2-tetrachloroethane 8533.38
    2-methyl-cyclohexyl acetate 6664.16
    tetrabutyl urea 2523.9
    diisobutyl methanol 8390.0
    2-phenylethanol 2938.49
    styrene 3797.24
    dioctyl adipate 3095.88
    dimethyl sulfate 776.35
    ethyl butyrate 15988.75
    methyl lactate 682.5
    butyl lactate 2520.03
    diethyl carbonate 5898.98
    propanediol butyl ether 1551.91
    triethyl orthoformate 10442.52
    p-tert-butyltoluene 4765.8
    methyl 4-tert-butylbenzoate 2086.77
    morpholine 12147.72
    tert-butylamine 10299.58
    n-dodecanol 2124.32
    dimethoxymethane 3871.5
    ethylene carbonate 2482.16
    cyrene 1088.0
    2-ethoxyethyl acetate 4776.56
    2-ethylhexyl acetate 17330.34
    1,2,4-trichlorobenzene 2891.35
    4-methylpyridine 7224.86
    dibutyl ether 20712.65
    2,6-dimethyl-4-heptanol 8390.0
    DEF 6528.76
    dimethyl isosorbide 4114.27
    tetrachloroethylene 4936.88
    eugenol 1374.75
    triacetin 2706.49
    span 80 2718.91
    1,4-butanediol 368.88
    1,1-dichloroethane 9679.76
    2-methyl-1-pentanol 4671.33
    methyl formate 515.19
    2-methyl-1-butanol 5338.89
    n-decane 3934.15
    butyronitrile 7146.06
    3,7-dimethyl-1-octanol 5493.71
    1-chlorooctane 6974.53
    1-chlorotetradecane 2375.49
    n-nonane 4999.36
    undecane 2490.66
    tert-butylcyclohexane 4819.8
    cyclooctane 8039.43
    cyclopentanol 5086.73
    tetrahydropyran 26854.04
    tert-amyl methyl ether 12460.0
    2,5,8-trioxanonane 3811.8
    1-hexene 24348.03
    2-isopropoxyethanol 2714.14
    2,2,2-trifluoroethanol 159.86
    methyl butyrate 7936.51

    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