3,5-Dimethylheptane

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  • Identifiers

    CAS number
    926-82-9

    Molecular formula
    C9H20

    SMILES
    CCC(C)CC(C)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fresh 40.32%
    Herbal 37.05%
    Citrus 34.82%
    Sweet 34.03%
    Gassy 33.18%
    Green 26.59%
    Woody 26.44%
    Ethereal 26.17%
    Spicy 24.62%
    Waxy 24.32%

     

    Flavor
    Alkane 33.65%
    Fresh 26.31%
    Gasoline 25.87%
    Citrus 25.62%
    Delicate 22.47%
    Leathery 22.02%
    Yeasty 21.56%
    Bloody 21.52%
    Waxy 21.11%
    Glue 21.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    10.09 (weak base)

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    134°C

    Flash point

    • 27.28 ˚C est.

  • Synonyms

    • 3,5-DIMETHYLHEPTANE
    • Heptane, 3,5-dimethyl-
    • DZJTZGHZAWTWGA-UHFFFAOYSA-
    • DTXSID30870798
    • 3,5Dimethyl heptane
    • Heptane, 3,5dimethyl
    • RefChem:91604
    • DTXCID50818490
    • 621-826-3
    • DZJTZGHZAWTWGA-UHFFFAOYSA-N
    • InChI=1/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3
    • 926-82-9
    • 3,5-Dimethyl heptane
    • MFCD00048659
    • 3,5-Dimethylheptane, (D)
    • 3,5-dimethyl-heptane
    • 3,5-Dimethylheptane, (L)
    • SCHEMBL83544
    • SCHEMBL83545
    • SCHEMBL83813
    • SCHEMBL231488
    • SCHEMBL231687
    • SCHEMBL1272848
    • SCHEMBL3281276
    • SCHEMBL3884633
    • SCHEMBL4618906
    • SCHEMBL4619187
    • SCHEMBL5985622
    • CHEBI:229285
    • MSK163627
    • D1208
    • T71466
    • Q2815981
    • 926-82-9

  • Applications

    3,5-Dimethylheptane (CAS 926-82-9) is a branched C9 alkane that can be used as a nonpolar solvent and diluent in coatings, inks, and adhesives; as an industrial cleaning and degreasing solvent for manufacturing processes; as a component of hydrocarbon solvent blends used for paints, coatings, and sealants; as a component in fuel blends to adjust distillation characteristics and octane performance; as a base oil or lubricant component in certain lubricant formulations; and as a reference material or internal standard in analytical gas chromatography.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.05
    methanol 98.54
    isopropanol 437.55
    water 0.02
    ethyl acetate 628.26
    n-propanol 411.82
    acetone 516.33
    n-butanol 629.93
    acetonitrile 276.1
    DMF 290.88
    toluene 716.39
    isobutanol 437.33
    1,4-dioxane 1161.47
    methyl acetate 437.8
    THF 2554.22
    2-butanone 712.82
    n-pentanol 430.92
    sec-butanol 635.15
    n-hexane 1590.73
    ethylene glycol 16.81
    NMP 517.2
    cyclohexane 1814.79
    DMSO 308.91
    n-butyl acetate 2254.84
    n-octanol 648.88
    chloroform 1446.68
    n-propyl acetate 565.8
    acetic acid 137.25
    dichloromethane 1109.46
    cyclohexanone 1426.71
    propylene glycol 60.46
    isopropyl acetate 537.46
    DMAc 324.05
    2-ethoxyethanol 227.29
    isopentanol 676.31
    n-heptane 3289.2
    ethyl formate 272.1
    1,2-dichloroethane 818.62
    n-hexanol 1659.45
    2-methoxyethanol 291.39
    isobutyl acetate 459.59
    tetrachloromethane 531.8
    n-pentyl acetate 783.66
    transcutol 928.88
    n-heptanol 692.5
    ethylbenzene 449.04
    MIBK 565.98
    2-propoxyethanol 857.92
    tert-butanol 888.6
    MTBE 1383.6
    2-butoxyethanol 528.98
    propionic acid 203.23
    o-xylene 473.77
    formic acid 9.37
    diethyl ether 1232.07
    m-xylene 500.83
    p-xylene 578.93
    chlorobenzene 634.66
    dimethyl carbonate 84.14
    n-octane 740.38
    formamide 17.33
    cyclopentanone 1291.85
    2-pentanone 760.73
    anisole 450.0
    cyclopentyl methyl ether 1459.81
    gamma-butyrolactone 849.65
    1-methoxy-2-propanol 353.51
    pyridine 855.25
    3-pentanone 575.07
    furfural 531.88
    n-dodecane 343.48
    diethylene glycol 199.97
    diisopropyl ether 664.03
    tert-amyl alcohol 949.24
    acetylacetone 492.77
    n-hexadecane 399.14
    acetophenone 333.9
    methyl propionate 349.92
    isopentyl acetate 1799.03
    trichloroethylene 1026.44
    n-nonanol 592.21
    cyclohexanol 926.09
    benzyl alcohol 221.0
    2-ethylhexanol 1853.67
    isooctanol 636.88
    dipropyl ether 2923.27
    1,2-dichlorobenzene 547.21
    ethyl lactate 144.89
    propylene carbonate 602.1
    n-methylformamide 100.78
    2-pentanol 639.0
    n-pentane 1014.33
    1-propoxy-2-propanol 1210.47
    1-methoxy-2-propyl acetate 835.97
    2-(2-methoxypropoxy) propanol 423.1
    mesitylene 412.14
    ε-caprolactone 1054.4
    p-cymene 815.52
    epichlorohydrin 987.48
    1,1,1-trichloroethane 1275.71
    2-aminoethanol 59.77
    morpholine-4-carbaldehyde 458.0
    sulfolane 874.92
    2,2,4-trimethylpentane 461.01
    2-methyltetrahydrofuran 2313.78
    n-hexyl acetate 986.63
    isooctane 410.88
    2-(2-butoxyethoxy)ethanol 527.73
    sec-butyl acetate 456.75
    tert-butyl acetate 664.36
    decalin 668.03
    glycerin 56.3
    diglyme 945.94
    acrylic acid 107.33
    isopropyl myristate 557.54
    n-butyric acid 535.58
    acetyl acetate 299.89
    di(2-ethylhexyl) phthalate 280.68
    ethyl propionate 468.99
    nitromethane 190.45
    1,2-diethoxyethane 1178.05
    benzonitrile 457.76
    trioctyl phosphate 297.44
    1-bromopropane 1444.07
    gamma-valerolactone 953.99
    n-decanol 470.57
    triethyl phosphate 447.28
    4-methyl-2-pentanol 441.41
    propionitrile 486.74
    vinylene carbonate 368.52
    1,1,2-trichlorotrifluoroethane 372.21
    DMS 306.67
    cumene 355.25
    2-octanol 564.66
    2-hexanone 774.59
    octyl acetate 563.54
    limonene 1681.45
    1,2-dimethoxyethane 832.26
    ethyl orthosilicate 504.37
    tributyl phosphate 358.0
    diacetone alcohol 499.96
    N,N-dimethylaniline 343.0
    acrylonitrile 310.23
    aniline 413.77
    1,3-propanediol 144.14
    bromobenzene 824.17
    dibromomethane 1179.39
    1,1,2,2-tetrachloroethane 1084.93
    2-methyl-cyclohexyl acetate 880.93
    tetrabutyl urea 438.51
    diisobutyl methanol 1101.85
    2-phenylethanol 516.43
    styrene 461.23
    dioctyl adipate 518.07
    dimethyl sulfate 117.47
    ethyl butyrate 1288.46
    methyl lactate 104.26
    butyl lactate 401.08
    diethyl carbonate 628.04
    propanediol butyl ether 301.01
    triethyl orthoformate 969.02
    p-tert-butyltoluene 813.17
    methyl 4-tert-butylbenzoate 443.61
    morpholine 1207.3
    tert-butylamine 957.33
    n-dodecanol 396.8
    dimethoxymethane 323.82
    ethylene carbonate 394.72
    cyrene 255.49
    2-ethoxyethyl acetate 524.17
    2-ethylhexyl acetate 1679.67
    1,2,4-trichlorobenzene 576.35
    4-methylpyridine 955.95
    dibutyl ether 1763.13
    2,6-dimethyl-4-heptanol 1101.85
    DEF 606.21
    dimethyl isosorbide 842.62
    tetrachloroethylene 645.79
    eugenol 321.4
    triacetin 409.7
    span 80 538.4
    1,4-butanediol 59.28
    1,1-dichloroethane 1039.23
    2-methyl-1-pentanol 484.73
    methyl formate 83.19
    2-methyl-1-butanol 616.29
    n-decane 632.04
    butyronitrile 807.99
    3,7-dimethyl-1-octanol 836.05
    1-chlorooctane 990.21
    1-chlorotetradecane 416.48
    n-nonane 768.4
    undecane 441.95
    tert-butylcyclohexane 660.7
    cyclooctane 906.02
    cyclopentanol 783.05
    tetrahydropyran 2454.27
    tert-amyl methyl ether 1066.62
    2,5,8-trioxanonane 612.98
    1-hexene 1792.96
    2-isopropoxyethanol 261.26
    2,2,2-trifluoroethanol 31.63
    methyl butyrate 640.44

    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