2-Methyldecane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6975-98-0

    Molecular formula
    C11H24

    SMILES
    CCCCCCCCC(C)C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1062.0

  • Odor profile

    Waxy 46.21%
    Sweet 45.62%
    Gassy 39.24%
    Oily 27.01%
    Fresh 24.54%
    Citrus 23.36%
    Fishy 20.76%
    Ethereal 20.59%
    Burnt 17.21%
    Clean 17.21%

    Scent© AI

  • Properties

    XLogP3-AA
    5.9

    Molecular weight
    156.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -48.9 °C

    Boiling point

    • 189.30 °C. @ 760.00 mm Hg

    Flash point est.
    60.5 ˚C

  • Synonyms

    • 2-METHYLDECANE
    • 6975-98-0
    • Decane, 2-methyl-
    • 90622-57-4
    • ISOUNDECANE
    • Isopar G
    • Isopar H
    • Shellsol K
    • 2-Methyl-Decane
    • 67167-66-2
    • n-C8H17CH(CH3)2
    • 34464-43-2
    • 91572-57-5
    • 2-Methyldecane (>80%)
    • Isoundecane; Isopah H; Isopar G
    • Dimethylnonane
    • Nonane, dimethyl-
    • Isopar-G
    • NSC20567
    • EINECS 230-236-1
    • EINECS 292-459-0
    • C11H24
    • NSC 20567
    • ISOPAR-H
    • DTXSID2058677
    • Decane, 2-methyl- (8CI)(9CI)
    • MFCD00039994
    • NSC-20567
    • AKOS006271773
    • AS-30683
    • DB-055340
    • CS-0188412
    • NS00012711

  • Applications

    2-Methyldecane (CAS 6975-98-0) is a hydrophobic C11 isoalkane used mainly in research and analytics: as a reference/spike standard for GC-FID/GC-MS and for establishing/validating retention behavior when characterizing hydrocarbon fractions, assessing column resolution, and developing methods for quantifying iso-paraffins; as a model component in surrogate-fuel studies to probe oxidation kinetics, combustion behavior, emissions, and soot/coke formation for gasoline/jet fuels, and in performance testing of cracking/isomerization catalysts in refining; and as a nonpolar inert medium/solvent or diluent in selected laboratory procedures in organic synthesis, nonpolar extraction, and materials compatibility testing where a very low-polarity, mid-volatility hydrocarbon is required.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2865.18
    methanol 1030.87
    isopropanol 4012.18
    water 0.01
    ethyl acetate 6881.72
    n-propanol 3601.79
    acetone 5933.36
    n-butanol 5438.37
    acetonitrile 1974.65
    DMF 2118.5
    toluene 4627.46
    isobutanol 3620.21
    1,4-dioxane 9155.59
    methyl acetate 3371.22
    THF 18556.96
    2-butanone 6393.55
    n-pentanol 3958.3
    sec-butanol 5139.39
    n-hexane 18203.04
    ethylene glycol 89.11
    NMP 2213.85
    cyclohexane 18994.66
    DMSO 2872.51
    n-butyl acetate 20776.35
    n-octanol 3220.25
    chloroform 8092.62
    n-propyl acetate 5957.66
    acetic acid 887.97
    dichloromethane 7343.79
    cyclohexanone 10114.45
    propylene glycol 329.94
    isopropyl acetate 6359.52
    DMAc 1913.78
    2-ethoxyethanol 2211.06
    isopentanol 6180.96
    n-heptane 25204.33
    ethyl formate 1859.36
    1,2-dichloroethane 6853.1
    n-hexanol 11514.62
    2-methoxyethanol 2608.6
    isobutyl acetate 4412.36
    tetrachloromethane 2656.35
    n-pentyl acetate 5367.87
    transcutol 9595.76
    n-heptanol 3499.95
    ethylbenzene 2776.26
    MIBK 6177.19
    2-propoxyethanol 7040.64
    tert-butanol 8175.96
    MTBE 16892.34
    2-butoxyethanol 3229.21
    propionic acid 1315.21
    o-xylene 2376.21
    formic acid 50.07
    diethyl ether 17198.49
    m-xylene 2885.95
    p-xylene 3256.09
    chlorobenzene 3162.16
    dimethyl carbonate 538.79
    n-octane 4507.96
    formamide 101.71
    cyclopentanone 7182.92
    2-pentanone 8172.51
    anisole 2828.27
    cyclopentyl methyl ether 12441.24
    gamma-butyrolactone 4417.52
    1-methoxy-2-propanol 3162.14
    pyridine 5574.64
    3-pentanone 5215.89
    furfural 2214.34
    n-dodecane 1638.79
    diethylene glycol 1255.16
    diisopropyl ether 8803.83
    tert-amyl alcohol 7134.86
    acetylacetone 4335.47
    n-hexadecane 1957.82
    acetophenone 1748.13
    methyl propionate 3030.32
    isopentyl acetate 15875.81
    trichloroethylene 6637.86
    n-nonanol 3071.02
    cyclohexanol 6538.77
    benzyl alcohol 1229.39
    2-ethylhexanol 13068.91
    isooctanol 3393.44
    dipropyl ether 33991.5
    1,2-dichlorobenzene 2400.23
    ethyl lactate 897.55
    propylene carbonate 2772.87
    n-methylformamide 637.46
    2-pentanol 5890.63
    n-pentane 9728.28
    1-propoxy-2-propanol 10133.27
    1-methoxy-2-propyl acetate 7044.89
    2-(2-methoxypropoxy) propanol 2071.91
    mesitylene 2346.41
    ε-caprolactone 6579.62
    p-cymene 3925.78
    epichlorohydrin 6400.29
    1,1,1-trichloroethane 8268.56
    2-aminoethanol 387.18
    morpholine-4-carbaldehyde 2684.07
    sulfolane 4084.27
    2,2,4-trimethylpentane 3060.16
    2-methyltetrahydrofuran 17683.49
    n-hexyl acetate 6170.84
    isooctane 3149.93
    2-(2-butoxyethoxy)ethanol 3411.41
    sec-butyl acetate 5009.6
    tert-butyl acetate 7916.95
    decalin 4615.48
    glycerin 289.01
    diglyme 6798.28
    acrylic acid 561.94
    isopropyl myristate 3069.84
    n-butyric acid 4268.69
    acetyl acetate 2495.5
    di(2-ethylhexyl) phthalate 1042.9
    ethyl propionate 4713.08
    nitromethane 1318.38
    1,2-diethoxyethane 13641.67
    benzonitrile 2164.24
    trioctyl phosphate 1218.13
    1-bromopropane 12763.31
    gamma-valerolactone 5835.28
    n-decanol 2352.1
    triethyl phosphate 2503.25
    4-methyl-2-pentanol 4028.82
    propionitrile 3399.58
    vinylene carbonate 1544.52
    1,1,2-trichlorotrifluoroethane 2160.28
    DMS 1533.69
    cumene 1937.08
    2-octanol 2804.71
    2-hexanone 8137.38
    octyl acetate 2884.2
    limonene 9809.71
    1,2-dimethoxyethane 8409.4
    ethyl orthosilicate 3275.81
    tributyl phosphate 1680.33
    diacetone alcohol 4112.41
    N,N-dimethylaniline 1950.72
    acrylonitrile 1982.58
    aniline 2510.71
    1,3-propanediol 1031.01
    bromobenzene 4048.67
    dibromomethane 7922.31
    1,1,2,2-tetrachloroethane 6848.28
    2-methyl-cyclohexyl acetate 5470.69
    tetrabutyl urea 2079.13
    diisobutyl methanol 7488.69
    2-phenylethanol 2654.37
    styrene 3073.47
    dioctyl adipate 2507.28
    dimethyl sulfate 598.56
    ethyl butyrate 12859.98
    methyl lactate 583.74
    butyl lactate 2176.6
    diethyl carbonate 4773.53
    propanediol butyl ether 1435.89
    triethyl orthoformate 8480.34
    p-tert-butyltoluene 4111.96
    methyl 4-tert-butylbenzoate 1682.83
    morpholine 10467.21
    tert-butylamine 9490.36
    n-dodecanol 1975.64
    dimethoxymethane 3143.4
    ethylene carbonate 2049.44
    cyrene 936.67
    2-ethoxyethyl acetate 3870.7
    2-ethylhexyl acetate 14302.6
    1,2,4-trichlorobenzene 2314.91
    4-methylpyridine 5878.87
    dibutyl ether 16928.13
    2,6-dimethyl-4-heptanol 7488.69
    DEF 5314.44
    dimethyl isosorbide 3462.88
    tetrachloroethylene 4070.34
    eugenol 1171.45
    triacetin 2179.81
    span 80 2504.97
    1,4-butanediol 376.53
    1,1-dichloroethane 7928.93
    2-methyl-1-pentanol 4311.4
    methyl formate 436.65
    2-methyl-1-butanol 4936.7
    n-decane 3521.45
    butyronitrile 6391.7
    3,7-dimethyl-1-octanol 4934.63
    1-chlorooctane 5914.46
    1-chlorotetradecane 2077.26
    n-nonane 4394.1
    undecane 2260.98
    tert-butylcyclohexane 4167.26
    cyclooctane 6726.24
    cyclopentanol 4404.13
    tetrahydropyran 22409.93
    tert-amyl methyl ether 10506.37
    2,5,8-trioxanonane 3238.25
    1-hexene 21184.47
    2-isopropoxyethanol 2447.5
    2,2,2-trifluoroethanol 147.3
    methyl butyrate 6243.87

    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

Botanical

Name CAS Botanical Proportion
St. John's wort (Italy) 1a oil 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 3.1%
St. John's wort (Italy) 1b headspace 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 0.7%
Uromyrtus australis (Australia) Uromyrtus australis A.J. Scott, fam. Myrtaceae 7.9%