4-Methylundecane

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  • Identifiers

    CAS number
    2980-69-0

    Molecular formula
    C12H26

    SMILES
    CCCCCCCC(C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 51.61%
    Sweet 42.68%
    Gassy 38.07%
    Oily 28.69%
    Fresh 23.53%
    Citrus 23.15%
    Fatty 19.12%
    Fishy 19.0%
    Ethereal 18.78%
    Clean 17.65%

     

    Flavor
    Alkane 60.4%
    Waxy 31.5%
    Gasoline 26.78%
    Delicate 23.24%
    Leathery 21.43%
    Slightly waxy 21.28%
    Incense 21.24%
    Skunky 21.14%
    Grapefruit peel 21.14%
    Citrus peel 21.14%

     

    Odor impact est.
    Medium

  • 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.
    205°C

    Flash point

    • 73.79 ˚C est.

  • Synonyms

    • 4-Methylundecane
    • 2980-69-0
    • CHEBI:84250
    • DTXSID00334357
    • RefChem:99976
    • DTXCID30965077
    • KNMXZGDUJVOTOC-UHFFFAOYSA-N
    • Undecane, 4-methyl-
    • UNDECANE,4-METHYL-
    • SCHEMBL181032
    • SCHEMBL199060
    • SCHEMBL202235
    • SCHEMBL3847330
    • SCHEMBL4472486
    • SCHEMBL5686549
    • SCHEMBL5986630
    • SCHEMBL8299370
    • SCHEMBL9442352
    • SCHEMBL12483541
    • SCHEMBL21293885
    • Q27157618
    • 2980-69-0

  • Applications

    4-Methylundecane (CAS 2980-69-0) is a branched long-chain alkane typically used as a non-polar solvent and processing oil in a range of industrial contexts; in coatings and inks it serves as a hydrocarbon solvent and diluent that supports formulation and film formation; in the processing of polymers and plastics it can function as a processing oil or diluent to adjust viscosity and flow of resins and rubbers; in adhesive formulations it acts as a solvent or diluent; in cleaning applications it can be used as an industrial cleaning solvent; it may also be evaluated as a fragrance component or fixative in perfumery depending on formulation and regulatory limits; all applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9049.51
    methanol 3120.93
    isopropanol 12881.6
    water 0.01
    ethyl acetate 21478.12
    n-propanol 11081.93
    acetone 21658.55
    n-butanol 15946.45
    acetonitrile 7341.16
    DMF 6960.39
    toluene 11734.27
    isobutanol 11078.66
    1,4-dioxane 24733.53
    methyl acetate 10422.29
    THF 49554.35
    2-butanone 20228.2
    n-pentanol 10735.31
    sec-butanol 14518.56
    n-hexane 39879.69
    ethylene glycol 194.29
    NMP 5573.19
    cyclohexane 46002.16
    DMSO 8872.69
    n-butyl acetate 56171.21
    n-octanol 6938.64
    chloroform 19531.54
    n-propyl acetate 17518.98
    acetic acid 2444.36
    dichloromethane 20299.42
    cyclohexanone 29560.08
    propylene glycol 692.99
    isopropyl acetate 17850.86
    DMAc 5162.83
    2-ethoxyethanol 5960.74
    isopentanol 17725.61
    n-heptane 49356.79
    ethyl formate 5945.38
    1,2-dichloroethane 20228.52
    n-hexanol 28020.92
    2-methoxyethanol 7646.29
    isobutyl acetate 11383.4
    tetrachloromethane 6239.73
    n-pentyl acetate 14072.83
    transcutol 23447.8
    n-heptanol 7850.5
    ethylbenzene 6190.7
    MIBK 16771.06
    2-propoxyethanol 16886.12
    tert-butanol 23827.43
    MTBE 47926.08
    2-butoxyethanol 7584.91
    propionic acid 3449.36
    o-xylene 4988.93
    formic acid 125.64
    diethyl ether 55902.25
    m-xylene 6551.51
    p-xylene 7152.82
    chlorobenzene 8050.1
    dimethyl carbonate 1446.74
    n-octane 8691.64
    formamide 299.26
    cyclopentanone 20141.2
    2-pentanone 25550.61
    anisole 6623.54
    cyclopentyl methyl ether 32528.13
    gamma-butyrolactone 11725.1
    1-methoxy-2-propanol 8737.03
    pyridine 15739.83
    3-pentanone 15333.93
    furfural 5192.76
    n-dodecane 2758.43
    diethylene glycol 2755.72
    diisopropyl ether 23951.64
    tert-amyl alcohol 18804.71
    acetylacetone 11871.39
    n-hexadecane 3346.25
    acetophenone 3821.74
    methyl propionate 9090.57
    isopentyl acetate 40747.15
    trichloroethylene 18269.85
    n-nonanol 6383.23
    cyclohexanol 17541.42
    benzyl alcohol 2713.07
    2-ethylhexanol 29748.94
    isooctanol 7431.16
    dipropyl ether 83337.12
    1,2-dichlorobenzene 5349.71
    ethyl lactate 1879.64
    propylene carbonate 6653.03
    n-methylformamide 2029.8
    2-pentanol 16739.16
    n-pentane 23698.2
    1-propoxy-2-propanol 23820.17
    1-methoxy-2-propyl acetate 17651.04
    2-(2-methoxypropoxy) propanol 3733.44
    mesitylene 4956.2
    ε-caprolactone 17682.11
    p-cymene 7920.85
    epichlorohydrin 17476.04
    1,1,1-trichloroethane 21804.42
    2-aminoethanol 939.65
    morpholine-4-carbaldehyde 6791.53
    sulfolane 9824.13
    2,2,4-trimethylpentane 6055.71
    2-methyltetrahydrofuran 50102.92
    n-hexyl acetate 15525.8
    isooctane 6607.33
    2-(2-butoxyethoxy)ethanol 6899.73
    sec-butyl acetate 13171.77
    tert-butyl acetate 21013.85
    decalin 8653.4
    glycerin 540.01
    diglyme 15089.49
    acrylic acid 1329.55
    isopropyl myristate 6203.5
    n-butyric acid 12320.12
    acetyl acetate 6329.94
    di(2-ethylhexyl) phthalate 1837.71
    ethyl propionate 13186.71
    nitromethane 4409.24
    1,2-diethoxyethane 39097.34
    benzonitrile 5245.67
    trioctyl phosphate 2312.5
    1-bromopropane 35759.37
    gamma-valerolactone 16393.21
    n-decanol 4580.25
    triethyl phosphate 4746.01
    4-methyl-2-pentanol 10277.2
    propionitrile 10706.22
    vinylene carbonate 3731.64
    1,1,2-trichlorotrifluoroethane 4820.14
    DMS 3435.45
    cumene 3800.17
    2-octanol 6350.19
    2-hexanone 22383.28
    octyl acetate 5928.22
    limonene 20701.75
    1,2-dimethoxyethane 23510.74
    ethyl orthosilicate 6457.75
    tributyl phosphate 3339.36
    diacetone alcohol 10549.6
    N,N-dimethylaniline 4061.46
    acrylonitrile 6107.25
    aniline 6289.44
    1,3-propanediol 2881.92
    bromobenzene 10194.71
    dibromomethane 21712.89
    1,1,2,2-tetrachloroethane 16622.62
    2-methyl-cyclohexyl acetate 11372.78
    tetrabutyl urea 4101.81
    diisobutyl methanol 15642.14
    2-phenylethanol 5751.16
    styrene 7252.63
    dioctyl adipate 4728.54
    dimethyl sulfate 1437.18
    ethyl butyrate 33822.72
    methyl lactate 1301.59
    butyl lactate 4814.39
    diethyl carbonate 10949.6
    propanediol butyl ether 2912.23
    triethyl orthoformate 18418.1
    p-tert-butyltoluene 8004.54
    methyl 4-tert-butylbenzoate 3093.05
    morpholine 29877.22
    tert-butylamine 27021.93
    n-dodecanol 3766.59
    dimethoxymethane 9799.93
    ethylene carbonate 5216.03
    cyrene 1620.05
    2-ethoxyethyl acetate 10022.92
    2-ethylhexyl acetate 35525.55
    1,2,4-trichlorobenzene 4919.84
    4-methylpyridine 17176.9
    dibutyl ether 42689.58
    2,6-dimethyl-4-heptanol 15642.14
    DEF 16148.3
    dimethyl isosorbide 6384.25
    tetrachloroethylene 9858.23
    eugenol 2115.42
    triacetin 4402.55
    span 80 4336.97
    1,4-butanediol 892.73
    1,1-dichloroethane 23301.73
    2-methyl-1-pentanol 11149.21
    methyl formate 1401.52
    2-methyl-1-butanol 13645.72
    n-decane 6605.35
    butyronitrile 20366.61
    3,7-dimethyl-1-octanol 10338.16
    1-chlorooctane 12221.75
    1-chlorotetradecane 3707.88
    n-nonane 8502.78
    undecane 3976.85
    tert-butylcyclohexane 7873.46
    cyclooctane 14397.37
    cyclopentanol 11765.18
    tetrahydropyran 65074.62
    tert-amyl methyl ether 26518.26
    2,5,8-trioxanonane 6093.04
    1-hexene 52813.31
    2-isopropoxyethanol 6061.86
    2,2,2-trifluoroethanol 357.51
    methyl butyrate 18277.22

    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