2,2,9-Trimethyldecane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    62238-00-0

    Molecular formula
    C13H28

    SMILES
    CC(C)CCCCCCC(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 54.71%
    Oily 36.38%
    Woody 36.36%
    Fresh 27.45%
    Sweet 27.35%
    Green 27.14%
    Herbal 26.77%
    Fatty 25.54%
    Citrus 22.22%
    Dry 22.16%

     

    Flavor
    Alkane 36.88%
    Gasoline 23.5%
    Mild 22.31%
    Delicate 22.23%
    Leathery 20.96%
    Yeasty 20.73%
    Waxy 20.47%
    Diterpene 20.36%
    Rotten 20.06%
    Skunky 19.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    9.98 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    215°C

    Flash point

    • 76.8 ˚C est.

  • Synonyms

    • 2,2,9-Trimethyldecane
    • Decane, 2,2,9-trimethyl-
    • 62238-00-0
    • 8EG4WCJ5TV
    • 2,2,9-Trimethyldecane #
    • SCHEMBL4579218
    • SCHEMBL10584838
    • SCHEMBL25384463
    • SCHEMBL28794358
    • DTXSID601319012
    • DB-355029
    • 62238-00-0

  • Applications

    2,2,9-Trimethyldecane (CAS 62238-00-0) can be used as a nonpolar solvent and a base solvent in a range of industrial formulations and personal care products; it may function as a base oil or solvent in lubricants and processing oils; as a fragrance carrier in perfumery and personal care products; as a solvent for coatings, paints, and inks; as an industrial cleaning and degreasing solvent; and as a processing aid or solvent for plastics and polymer processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 521.26
    methanol 189.5
    isopropanol 699.53
    water 0.02
    ethyl acetate 1581.91
    n-propanol 676.35
    acetone 897.04
    n-butanol 1117.97
    acetonitrile 284.12
    DMF 476.55
    toluene 1554.32
    isobutanol 748.3
    1,4-dioxane 2013.32
    methyl acetate 788.42
    THF 4127.03
    2-butanone 1266.78
    n-pentanol 868.64
    sec-butanol 1006.37
    n-hexane 4290.94
    ethylene glycol 24.07
    NMP 723.42
    cyclohexane 4210.32
    DMSO 439.42
    n-butyl acetate 4436.89
    n-octanol 1349.64
    chloroform 1756.85
    n-propyl acetate 1339.12
    acetic acid 191.81
    dichloromethane 1178.14
    cyclohexanone 2371.66
    propylene glycol 104.83
    isopropyl acetate 1805.97
    DMAc 764.77
    2-ethoxyethanol 543.1
    isopentanol 1479.51
    n-heptane 7079.49
    ethyl formate 359.29
    1,2-dichloroethane 1132.4
    n-hexanol 3148.37
    2-methoxyethanol 601.65
    isobutyl acetate 1485.98
    tetrachloromethane 573.99
    n-pentyl acetate 1535.16
    transcutol 3230.86
    n-heptanol 1277.55
    ethylbenzene 1100.88
    MIBK 1775.85
    2-propoxyethanol 2089.24
    tert-butanol 1656.43
    MTBE 4475.76
    2-butoxyethanol 1147.22
    propionic acid 304.27
    o-xylene 1102.25
    formic acid 15.72
    diethyl ether 3181.27
    m-xylene 1329.94
    p-xylene 1375.6
    chlorobenzene 917.73
    dimethyl carbonate 203.05
    n-octane 1575.34
    formamide 24.88
    cyclopentanone 1642.69
    2-pentanone 1722.2
    anisole 1067.54
    cyclopentyl methyl ether 3498.17
    gamma-butyrolactone 980.74
    1-methoxy-2-propanol 873.73
    pyridine 1125.27
    3-pentanone 1384.68
    furfural 614.27
    n-dodecane 798.24
    diethylene glycol 420.58
    diisopropyl ether 2702.58
    tert-amyl alcohol 1901.49
    acetylacetone 1146.27
    n-hexadecane 937.43
    acetophenone 716.96
    methyl propionate 846.93
    isopentyl acetate 4566.76
    trichloroethylene 1365.14
    n-nonanol 1370.59
    cyclohexanol 1703.55
    benzyl alcohol 415.55
    2-ethylhexanol 4002.68
    isooctanol 1287.19
    dipropyl ether 7629.72
    1,2-dichlorobenzene 793.06
    ethyl lactate 378.52
    propylene carbonate 774.52
    n-methylformamide 137.86
    2-pentanol 1324.77
    n-pentane 2157.4
    1-propoxy-2-propanol 3071.44
    1-methoxy-2-propyl acetate 2890.54
    2-(2-methoxypropoxy) propanol 1257.26
    mesitylene 1187.91
    ε-caprolactone 1793.94
    p-cymene 1703.01
    epichlorohydrin 1442.9
    1,1,1-trichloroethane 1815.06
    2-aminoethanol 104.59
    morpholine-4-carbaldehyde 952.64
    sulfolane 1082.01
    2,2,4-trimethylpentane 1434.36
    2-methyltetrahydrofuran 4064.68
    n-hexyl acetate 2351.66
    isooctane 1426.54
    2-(2-butoxyethoxy)ethanol 1653.7
    sec-butyl acetate 1621.73
    tert-butyl acetate 2786.61
    decalin 1991.54
    glycerin 107.82
    diglyme 2718.11
    acrylic acid 138.26
    isopropyl myristate 1581.75
    n-butyric acid 896.91
    acetyl acetate 696.9
    di(2-ethylhexyl) phthalate 597.55
    ethyl propionate 1299.92
    nitromethane 246.34
    1,2-diethoxyethane 3239.17
    benzonitrile 583.12
    trioctyl phosphate 681.71
    1-bromopropane 2233.03
    gamma-valerolactone 1502.51
    n-decanol 1106.55
    triethyl phosphate 1092.52
    4-methyl-2-pentanol 1354.53
    propionitrile 577.15
    vinylene carbonate 462.3
    1,1,2-trichlorotrifluoroethane 617.51
    DMS 786.67
    cumene 981.52
    2-octanol 973.98
    2-hexanone 1828.4
    octyl acetate 1499.56
    limonene 3590.77
    1,2-dimethoxyethane 1822.07
    ethyl orthosilicate 1452.55
    tributyl phosphate 863.58
    diacetone alcohol 1508.8
    N,N-dimethylaniline 935.05
    acrylonitrile 330.24
    aniline 752.77
    1,3-propanediol 252.63
    bromobenzene 1194.35
    dibromomethane 1343.66
    1,1,2,2-tetrachloroethane 1697.32
    2-methyl-cyclohexyl acetate 2483.16
    tetrabutyl urea 999.75
    diisobutyl methanol 2789.43
    2-phenylethanol 1047.56
    styrene 1035.54
    dioctyl adipate 1331.83
    dimethyl sulfate 236.2
    ethyl butyrate 3154.49
    methyl lactate 257.35
    butyl lactate 846.77
    diethyl carbonate 1471.46
    propanediol butyl ether 690.07
    triethyl orthoformate 2914.71
    p-tert-butyltoluene 1881.68
    methyl 4-tert-butylbenzoate 1028.23
    morpholine 2159.97
    tert-butylamine 1960.83
    n-dodecanol 950.74
    dimethoxymethane 851.06
    ethylene carbonate 554.23
    cyrene 538.51
    2-ethoxyethyl acetate 1244.71
    2-ethylhexyl acetate 4310.72
    1,2,4-trichlorobenzene 858.53
    4-methylpyridine 1369.28
    dibutyl ether 4885.75
    2,6-dimethyl-4-heptanol 2789.43
    DEF 1404.09
    dimethyl isosorbide 1960.74
    tetrachloroethylene 947.85
    eugenol 646.25
    triacetin 1218.94
    span 80 1290.19
    1,4-butanediol 107.63
    1,1-dichloroethane 1350.97
    2-methyl-1-pentanol 1218.67
    methyl formate 104.32
    2-methyl-1-butanol 1260.33
    n-decane 1497.8
    butyronitrile 1045.35
    3,7-dimethyl-1-octanol 2224.25
    1-chlorooctane 2222.78
    1-chlorotetradecane 1015.74
    n-nonane 1742.73
    undecane 1042.11
    tert-butylcyclohexane 2151.86
    cyclooctane 2380.49
    cyclopentanol 1034.08
    tetrahydropyran 4383.32
    tert-amyl methyl ether 3693.59
    2,5,8-trioxanonane 1623.47
    1-hexene 4396.84
    2-isopropoxyethanol 737.15
    2,2,2-trifluoroethanol 43.47
    methyl butyrate 1465.38

    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