(+-)-2,2,4,4,6,8,8-Heptamethylnonane

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  • Identifiers

    CAS number
    4390-04-9

    Molecular formula
    C16H34

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 62.7%
    Green 37.28%
    Dry 34.42%
    Fatty 32.5%
    Waxy 29.28%
    Camphoreous 29.22%
    Vetiver 29.15%
    Herbal 25.9%
    Amber 25.74%
    Oily 24.74%

     

    Flavor
    Mild 23.06%
    Pungent 21.93%
    Green 20.64%
    Camphor 19.65%
    Yeasty 19.34%
    Blackberry 19.28%
    Delicate 19.07%
    Earthy 19.04%
    Leathery 18.98%
    Terpenic 18.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    8.62 (weak base)

    Molecular weight
    226.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point

    • 97.07 ˚C est.

  • Synonyms

    • 2,2,4,4,6,8,8-HEPTAMETHYLNONANE
    • 4390-04-9
    • Nonane, 2,2,4,4,6,8,8-heptamethyl-
    • DTXSID7052101
    • 8LP0677305
    • DTXCID5030668
    • CHEBI:131383
    • RefChem:440687
    • (+-)-2,2,4,4,6,8,8-Heptamethylnonane
    • 224-506-8
    • isocetane
    • MFCD00008856
    • NSC-77129
    • 2,2,4,4,6,8,8-heptamethyl-nonane
    • Cyprane
    • J125.176G
    • SCHEMBL669997
    • CHEMBL3561882
    • UNII-8LP0677305
    • 2,4,4,6,8,8-Heptamethylnonane
    • NSC77129
    • EINECS 224-506-8
    • Tox21_303743
    • NSC 77129
    • AKOS015912716
    • Nonane,2,4,4,6,8,8-heptamethyl-
    • FH11941
    • 2,2,4,4,6,8,8,-Heptamethylnonane
    • 2,2,4,4,6,8,8-?Heptamethylnonane
    • NCGC00357049-01
    • AS-60782
    • SY049013
    • CAS-4390-04-9
    • CS-0204778
    • H0365
    • NS00009921
    • 2,2,4,4,6,8,8-Heptamethylnonane, 98%
    • D97846
    • EC 224-506-8
    • NONANE, 2,2,4,4,6,8,8-HEP-TAMETHYL
    • Q754394
    • (+/-)-2,2,4,4,6,8,8-HEPTAMETHYLNONANE
    • InChI=1/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H
    • 4390-04-9

  • Applications

    (+-)-2,2,4,4,6,8,8-Heptamethylnonane, CAS 4390-04-9, is a highly branched, non-polar hydrocarbon commonly used as a non-polar solvent and diluent in a range of industrial formulations. In coatings and inks it serves as a solvent carrier to aid pigment dispersion and film formation; in cleaning formulations it provides degreasing power for equipment maintenance. In polymer and plastics processing it can act as a processing aid or solvent during formulation and compounding; in lubricant technology it is used as a component of high-boiling base oils or hydrocarbon blends.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 379.61
    methanol 272.19
    isopropanol 351.63
    water 0.19
    ethyl acetate 898.96
    n-propanol 421.07
    acetone 542.06
    n-butanol 561.78
    acetonitrile 223.43
    DMF 525.56
    toluene 881.25
    isobutanol 455.7
    1,4-dioxane 1095.44
    methyl acetate 550.67
    THF 2633.48
    2-butanone 701.51
    n-pentanol 461.88
    sec-butanol 489.11
    n-hexane 1248.93
    ethylene glycol 33.44
    NMP 1273.07
    cyclohexane 1574.3
    DMSO 327.68
    n-butyl acetate 1905.66
    n-octanol 878.73
    chloroform 1172.81
    n-propyl acetate 796.07
    acetic acid 292.95
    dichloromethane 821.77
    cyclohexanone 1783.41
    propylene glycol 101.49
    isopropyl acetate 957.48
    DMAc 747.42
    2-ethoxyethanol 325.95
    isopentanol 659.72
    n-heptane 2372.04
    ethyl formate 375.81
    1,2-dichloroethane 594.65
    n-hexanol 1574.25
    2-methoxyethanol 434.69
    isobutyl acetate 907.01
    tetrachloromethane 374.76
    n-pentyl acetate 989.75
    transcutol 1266.55
    n-heptanol 789.72
    ethylbenzene 668.15
    MIBK 906.83
    2-propoxyethanol 1116.75
    tert-butanol 624.63
    MTBE 1453.91
    2-butoxyethanol 648.82
    propionic acid 313.49
    o-xylene 728.01
    formic acid 50.48
    diethyl ether 1161.62
    m-xylene 910.01
    p-xylene 837.14
    chlorobenzene 708.65
    dimethyl carbonate 259.93
    n-octane 668.12
    formamide 53.35
    cyclopentanone 1499.39
    2-pentanone 913.28
    anisole 672.25
    cyclopentyl methyl ether 2388.69
    gamma-butyrolactone 1248.69
    1-methoxy-2-propanol 511.12
    pyridine 753.48
    3-pentanone 770.53
    furfural 722.16
    n-dodecane 373.51
    diethylene glycol 314.1
    diisopropyl ether 973.76
    tert-amyl alcohol 823.54
    acetylacetone 769.64
    n-hexadecane 419.31
    acetophenone 605.57
    methyl propionate 653.27
    isopentyl acetate 1955.54
    trichloroethylene 928.97
    n-nonanol 828.41
    cyclohexanol 1030.06
    benzyl alcohol 328.74
    2-ethylhexanol 1842.88
    isooctanol 773.26
    dipropyl ether 2432.22
    1,2-dichlorobenzene 621.69
    ethyl lactate 305.88
    propylene carbonate 1014.6
    n-methylformamide 210.29
    2-pentanol 589.65
    n-pentane 802.45
    1-propoxy-2-propanol 1323.6
    1-methoxy-2-propyl acetate 1443.11
    2-(2-methoxypropoxy) propanol 704.95
    mesitylene 806.52
    ε-caprolactone 1599.73
    p-cymene 1020.33
    epichlorohydrin 1072.07
    1,1,1-trichloroethane 994.32
    2-aminoethanol 113.01
    morpholine-4-carbaldehyde 922.87
    sulfolane 1266.39
    2,2,4-trimethylpentane 607.73
    2-methyltetrahydrofuran 2430.76
    n-hexyl acetate 1604.63
    isooctane 590.72
    2-(2-butoxyethoxy)ethanol 815.23
    sec-butyl acetate 841.22
    tert-butyl acetate 1363.84
    decalin 865.22
    glycerin 100.97
    diglyme 1346.99
    acrylic acid 196.3
    isopropyl myristate 859.58
    n-butyric acid 667.11
    acetyl acetate 586.13
    di(2-ethylhexyl) phthalate 489.3
    ethyl propionate 795.88
    nitromethane 340.3
    1,2-diethoxyethane 1089.94
    benzonitrile 485.53
    trioctyl phosphate 519.57
    1-bromopropane 933.81
    gamma-valerolactone 1459.98
    n-decanol 630.32
    triethyl phosphate 651.62
    4-methyl-2-pentanol 572.98
    propionitrile 323.46
    vinylene carbonate 634.01
    1,1,2-trichlorotrifluoroethane 536.52
    DMS 674.37
    cumene 609.21
    2-octanol 675.71
    2-hexanone 881.36
    octyl acetate 945.52
    limonene 1925.89
    1,2-dimethoxyethane 855.97
    ethyl orthosilicate 730.76
    tributyl phosphate 632.58
    diacetone alcohol 792.86
    N,N-dimethylaniline 654.01
    acrylonitrile 241.27
    aniline 525.83
    1,3-propanediol 196.59
    bromobenzene 869.71
    dibromomethane 826.92
    1,1,2,2-tetrachloroethane 976.81
    2-methyl-cyclohexyl acetate 1483.33
    tetrabutyl urea 773.39
    diisobutyl methanol 1046.44
    2-phenylethanol 695.38
    styrene 605.19
    dioctyl adipate 830.17
    dimethyl sulfate 316.52
    ethyl butyrate 1471.48
    methyl lactate 256.26
    butyl lactate 636.58
    diethyl carbonate 784.52
    propanediol butyl ether 468.5
    triethyl orthoformate 1271.58
    p-tert-butyltoluene 1114.27
    methyl 4-tert-butylbenzoate 834.42
    morpholine 1230.56
    tert-butylamine 672.03
    n-dodecanol 511.74
    dimethoxymethane 672.23
    ethylene carbonate 678.26
    cyrene 531.21
    2-ethoxyethyl acetate 798.54
    2-ethylhexyl acetate 1983.69
    1,2,4-trichlorobenzene 729.92
    4-methylpyridine 995.32
    dibutyl ether 1680.13
    2,6-dimethyl-4-heptanol 1046.44
    DEF 970.0
    dimethyl isosorbide 1471.43
    tetrachloroethylene 604.37
    eugenol 552.79
    triacetin 895.91
    span 80 881.88
    1,4-butanediol 95.56
    1,1-dichloroethane 708.36
    2-methyl-1-pentanol 581.69
    methyl formate 192.36
    2-methyl-1-butanol 648.58
    n-decane 698.82
    butyronitrile 528.75
    3,7-dimethyl-1-octanol 1053.94
    1-chlorooctane 1117.58
    1-chlorotetradecane 486.26
    n-nonane 785.89
    undecane 495.28
    tert-butylcyclohexane 996.81
    cyclooctane 1090.14
    cyclopentanol 815.4
    tetrahydropyran 2102.98
    tert-amyl methyl ether 1426.64
    2,5,8-trioxanonane 891.09
    1-hexene 1322.19
    2-isopropoxyethanol 382.54
    2,2,2-trifluoroethanol 91.47
    methyl butyrate 940.05

    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