3-Methylundecane

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  • Identifiers

    CAS number
    1002-43-3

    Molecular formula
    C12H26

    SMILES
    CCCCCCCCC(C)CC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 54.98%
    Sweet 39.3%
    Gassy 37.62%
    Oily 27.26%
    Fresh 21.4%
    Citrus 20.41%
    Fatty 19.97%
    Fishy 19.33%
    Ethereal 16.85%
    Clean 16.8%

     

    Flavor
    Alkane 67.89%
    Waxy 36.95%
    Gasoline 26.58%
    Delicate 23.07%
    Incense 21.79%
    Citrus peel 21.73%
    Slightly waxy 21.6%
    Grapefruit peel 21.49%
    Coumarinic 21.3%
    Leathery 21.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    9.21 (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

    • 74.09 ˚C est.

  • Synonyms

    • 3-METHYLUNDECANE
    • Undecane, 3-methyl-
    • 2-Ethyl-decane
    • DTXSID40862508
    • Undecane, 3methyl
    • RefChem:94977
    • DTXCID40811258
    • 678-596-2
    • HTZWVZNRDDOFEI-UHFFFAOYSA-N
    • 1002-43-3
    • 1-Butyl-3-ethylimidazolium 1,1,2,2-tetrafluoroethanesulfonate, >98%
    • Nonane, ethylmethyl-
    • Undecane,3-methyl-
    • SCHEMBL100742
    • SCHEMBL199645
    • SCHEMBL450926
    • SCHEMBL453968
    • SCHEMBL582532
    • SCHEMBL1901792
    • SCHEMBL5684592
    • SCHEMBL5985490
    • SCHEMBL6061890
    • SCHEMBL6266733
    • SCHEMBL9212506
    • SCHEMBL21293883
    • BAA00243
    • LMFA11000410
    • NS00122078
    • E83727
    • 1002-43-3

  • Applications

    3-Methylundecane (CAS 1002-43-3) is a long-chain saturated hydrocarbon typically used as a nonpolar solvent and diluent in industrial formulations, including cleaning and degreasing applications, as well as in paints, coatings, and ink systems where it helps dissolve or carry high-molecular-weight components and adjust viscosity. It also serves as a component of lubricant base oils and greases, providing a non-polar carrier in lubrication environments. In cosmetics and perfumery, it may be used as a fragrance carrier or solvent for fragrance materials and other non-polar ingredients. In polymer and plastics processing, it can function as a processing aid or solvent for certain formulations, helping to dissolve additives or adjust processability. It is important to note that use and limits are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3206.47
    methanol 972.24
    isopropanol 4774.68
    water 0.0
    ethyl acetate 10850.29
    n-propanol 4261.64
    acetone 8293.71
    n-butanol 6409.56
    acetonitrile 2966.57
    DMF 2824.39
    toluene 6997.34
    isobutanol 4359.36
    1,4-dioxane 12768.21
    methyl acetate 4931.92
    THF 24901.76
    2-butanone 9556.82
    n-pentanol 4429.03
    sec-butanol 6212.27
    n-hexane 20107.65
    ethylene glycol 69.28
    NMP 2714.16
    cyclohexane 24369.34
    DMSO 3738.87
    n-butyl acetate 30562.56
    n-octanol 3394.54
    chloroform 11426.54
    n-propyl acetate 9154.08
    acetic acid 957.98
    dichloromethane 11449.39
    cyclohexanone 14772.61
    propylene glycol 275.94
    isopropyl acetate 9564.31
    DMAc 2611.13
    2-ethoxyethanol 2674.02
    isopentanol 7597.82
    n-heptane 27733.34
    ethyl formate 2643.18
    1,2-dichloroethane 10922.06
    n-hexanol 11860.09
    2-methoxyethanol 3068.9
    isobutyl acetate 6432.84
    tetrachloromethane 3611.46
    n-pentyl acetate 7879.71
    transcutol 13624.55
    n-heptanol 3840.63
    ethylbenzene 4089.52
    MIBK 8681.98
    2-propoxyethanol 7915.43
    tert-butanol 9916.72
    MTBE 25471.71
    2-butoxyethanol 3859.91
    propionic acid 1509.99
    o-xylene 3416.99
    formic acid 44.2
    diethyl ether 26782.84
    m-xylene 4146.47
    p-xylene 4659.15
    chlorobenzene 4720.7
    dimethyl carbonate 729.5
    n-octane 5160.08
    formamide 113.15
    cyclopentanone 10010.91
    2-pentanone 11880.41
    anisole 4415.91
    cyclopentyl methyl ether 16997.77
    gamma-butyrolactone 5930.34
    1-methoxy-2-propanol 3685.21
    pyridine 8902.62
    3-pentanone 7913.21
    furfural 2958.46
    n-dodecane 1668.94
    diethylene glycol 1290.11
    diisopropyl ether 12723.17
    tert-amyl alcohol 8997.27
    acetylacetone 6425.36
    n-hexadecane 2023.19
    acetophenone 2591.3
    methyl propionate 4470.46
    isopentyl acetate 23333.01
    trichloroethylene 10367.12
    n-nonanol 3383.31
    cyclohexanol 7897.75
    benzyl alcohol 1561.42
    2-ethylhexanol 15076.07
    isooctanol 3925.59
    dipropyl ether 46718.26
    1,2-dichlorobenzene 3566.23
    ethyl lactate 1118.97
    propylene carbonate 3623.99
    n-methylformamide 766.44
    2-pentanol 7255.48
    n-pentane 11286.16
    1-propoxy-2-propanol 11978.26
    1-methoxy-2-propyl acetate 10182.65
    2-(2-methoxypropoxy) propanol 2487.39
    mesitylene 3207.4
    ε-caprolactone 9428.54
    p-cymene 5163.64
    epichlorohydrin 9511.33
    1,1,1-trichloroethane 12961.98
    2-aminoethanol 346.08
    morpholine-4-carbaldehyde 3587.14
    sulfolane 5355.31
    2,2,4-trimethylpentane 3397.63
    2-methyltetrahydrofuran 25023.55
    n-hexyl acetate 8304.24
    isooctane 3561.12
    2-(2-butoxyethoxy)ethanol 4209.49
    sec-butyl acetate 7734.47
    tert-butyl acetate 11948.95
    decalin 5531.84
    glycerin 253.01
    diglyme 9199.11
    acrylic acid 589.43
    isopropyl myristate 3962.57
    n-butyric acid 5375.58
    acetyl acetate 3700.3
    di(2-ethylhexyl) phthalate 1228.19
    ethyl propionate 7394.76
    nitromethane 1739.81
    1,2-diethoxyethane 22709.63
    benzonitrile 3017.86
    trioctyl phosphate 1418.98
    1-bromopropane 19305.07
    gamma-valerolactone 8093.22
    n-decanol 2504.29
    triethyl phosphate 3343.06
    4-methyl-2-pentanol 4831.31
    propionitrile 4894.8
    vinylene carbonate 2091.13
    1,1,2-trichlorotrifluoroethane 2627.84
    DMS 2139.29
    cumene 2554.97
    2-octanol 3274.22
    2-hexanone 11779.52
    octyl acetate 3627.21
    limonene 12536.16
    1,2-dimethoxyethane 12017.72
    ethyl orthosilicate 4387.1
    tributyl phosphate 2070.67
    diacetone alcohol 5669.04
    N,N-dimethylaniline 2734.9
    acrylonitrile 2788.67
    aniline 3518.37
    1,3-propanediol 1105.73
    bromobenzene 6243.87
    dibromomethane 11826.79
    1,1,2,2-tetrachloroethane 10086.62
    2-methyl-cyclohexyl acetate 7225.12
    tetrabutyl urea 2554.17
    diisobutyl methanol 9055.77
    2-phenylethanol 3289.0
    styrene 4675.96
    dioctyl adipate 3202.91
    dimethyl sulfate 809.28
    ethyl butyrate 20257.56
    methyl lactate 684.52
    butyl lactate 2717.74
    diethyl carbonate 7086.75
    propanediol butyl ether 1542.0
    triethyl orthoformate 11879.77
    p-tert-butyltoluene 5230.24
    methyl 4-tert-butylbenzoate 2207.09
    morpholine 14405.76
    tert-butylamine 11812.4
    n-dodecanol 2075.58
    dimethoxymethane 4283.42
    ethylene carbonate 2816.36
    cyrene 1083.04
    2-ethoxyethyl acetate 5831.25
    2-ethylhexyl acetate 20782.4
    1,2,4-trichlorobenzene 3350.65
    4-methylpyridine 9438.5
    dibutyl ether 23640.99
    2,6-dimethyl-4-heptanol 9055.77
    DEF 7888.91
    dimethyl isosorbide 4345.51
    tetrachloroethylene 5795.91
    eugenol 1465.84
    triacetin 2865.75
    span 80 2773.59
    1,4-butanediol 358.35
    1,1-dichloroethane 12240.6
    2-methyl-1-pentanol 5205.25
    methyl formate 549.18
    2-methyl-1-butanol 6066.13
    n-decane 3860.35
    butyronitrile 8958.15
    3,7-dimethyl-1-octanol 5764.18
    1-chlorooctane 7177.87
    1-chlorotetradecane 2322.95
    n-nonane 4877.74
    undecane 2355.96
    tert-butylcyclohexane 4829.4
    cyclooctane 8261.01
    cyclopentanol 5157.44
    tetrahydropyran 33472.48
    tert-amyl methyl ether 14838.05
    2,5,8-trioxanonane 4147.25
    1-hexene 27076.02
    2-isopropoxyethanol 2996.06
    2,2,2-trifluoroethanol 157.69
    methyl butyrate 9677.1

    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