2,2-Dimethylheptane

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  • Identifiers

    CAS number
    1071-26-7

    Molecular formula
    C9H20

    SMILES
    CCCCCC(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 38.95%
    Gassy 35.3%
    Fresh 31.27%
    Ethereal 29.85%
    Woody 27.1%
    Camphoreous 26.69%
    Citrus 25.43%
    Herbal 24.78%
    Oily 23.92%
    Pine 23.33%

     

    Flavor
    Alkane 47.79%
    Gasoline 29.62%
    Pungent 22.36%
    Ethereal 21.85%
    Rotten 21.01%
    Fishy 20.36%
    Terpenic 20.03%
    Yeasty 19.65%
    Bloody 19.58%
    Decomposing cabbage 19.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    9.51 (weak base)

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    135°C

    Flash point

    • 21.25 ˚C est.

  • Synonyms

    • 2,2-DIMETHYLHEPTANE
    • Heptane, 2,2-dimethyl-
    • 1071-26-7
    • 3UIU4Z489X
    • NSC-74181
    • DTXSID0061454
    • RefChem:1059136
    • DTXCID4033055
    • 213-989-0
    • trimethylhexane
    • Hexane, trimethyl-
    • NSC74181
    • EINECS 213-989-0
    • NSC 74181
    • Heptane,2-dimethyl-
    • 2,2-dimethyl-heptane
    • UNII-3UIU4Z489X
    • SCHEMBL55762
    • SCHEMBL55763
    • SCHEMBL82246
    • SCHEMBL99628
    • SCHEMBL246505
    • SCHEMBL771073
    • SCHEMBL1178417
    • SCHEMBL2282237
    • SCHEMBL3654899
    • SCHEMBL4620736
    • 26447-41-6
    • LS-13717
    • DB-040733
    • NS00023442
    • Q2813765
    • 1071-26-7

  • Applications

    2,2-Dimethylheptane (CAS 1071-26-7) is a branched C9 aliphatic hydrocarbon that functions primarily as a non-polar solvent and diluent in industrial formulations. It is commonly used as a low-viscosity solvent component in blends for paints, coatings, inks, and adhesives, aiding the dissolution of non-polar additives. It is also used as a cleaning/degreasing solvent for metal parts and equipment, and may serve as a processing solvent in polymer or resin formulations. Additionally, it can be included as a hydrocarbon blending component in fuel streams, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.9
    methanol 79.77
    isopropanol 203.05
    water 0.04
    ethyl acetate 294.1
    n-propanol 204.7
    acetone 196.61
    n-butanol 317.14
    acetonitrile 100.07
    DMF 135.55
    toluene 324.56
    isobutanol 192.46
    1,4-dioxane 537.48
    methyl acetate 173.69
    THF 1099.58
    2-butanone 257.54
    n-pentanol 202.53
    sec-butanol 283.15
    n-hexane 847.57
    ethylene glycol 16.95
    NMP 246.49
    cyclohexane 922.58
    DMSO 129.65
    n-butyl acetate 892.31
    n-octanol 420.41
    chloroform 537.02
    n-propyl acetate 240.36
    acetic acid 84.74
    dichloromethane 340.87
    cyclohexanone 541.52
    propylene glycol 52.2
    isopropyl acetate 291.81
    DMAc 175.33
    2-ethoxyethanol 133.86
    isopentanol 324.23
    n-heptane 2042.41
    ethyl formate 105.54
    1,2-dichloroethane 239.08
    n-hexanol 991.48
    2-methoxyethanol 184.2
    isobutyl acetate 232.65
    tetrachloromethane 179.08
    n-pentyl acetate 333.74
    transcutol 638.35
    n-heptanol 414.5
    ethylbenzene 222.73
    MIBK 279.02
    2-propoxyethanol 574.74
    tert-butanol 384.7
    MTBE 615.01
    2-butoxyethanol 311.51
    propionic acid 107.11
    o-xylene 231.82
    formic acid 9.86
    diethyl ether 521.81
    m-xylene 273.15
    p-xylene 273.29
    chlorobenzene 232.11
    dimethyl carbonate 54.5
    n-octane 426.01
    formamide 12.9
    cyclopentanone 467.43
    2-pentanone 325.84
    anisole 225.96
    cyclopentyl methyl ether 710.07
    gamma-butyrolactone 326.43
    1-methoxy-2-propanol 231.37
    pyridine 331.93
    3-pentanone 252.82
    furfural 211.26
    n-dodecane 241.17
    diethylene glycol 162.07
    diisopropyl ether 384.0
    tert-amyl alcohol 427.19
    acetylacetone 228.77
    n-hexadecane 269.03
    acetophenone 167.83
    methyl propionate 179.86
    isopentyl acetate 841.22
    trichloroethylene 325.94
    n-nonanol 403.16
    cyclohexanol 449.66
    benzyl alcohol 114.23
    2-ethylhexanol 1080.44
    isooctanol 359.5
    dipropyl ether 1542.78
    1,2-dichlorobenzene 210.99
    ethyl lactate 98.18
    propylene carbonate 247.95
    n-methylformamide 48.66
    2-pentanol 320.07
    n-pentane 516.32
    1-propoxy-2-propanol 785.67
    1-methoxy-2-propyl acetate 506.05
    2-(2-methoxypropoxy) propanol 362.24
    mesitylene 243.44
    ε-caprolactone 424.82
    p-cymene 460.04
    epichlorohydrin 347.31
    1,1,1-trichloroethane 383.51
    2-aminoethanol 51.33
    morpholine-4-carbaldehyde 271.31
    sulfolane 351.24
    2,2,4-trimethylpentane 283.0
    2-methyltetrahydrofuran 953.63
    n-hexyl acetate 525.98
    isooctane 273.96
    2-(2-butoxyethoxy)ethanol 422.79
    sec-butyl acetate 242.64
    tert-butyl acetate 401.15
    decalin 401.46
    glycerin 56.37
    diglyme 592.0
    acrylic acid 60.58
    isopropyl myristate 342.32
    n-butyric acid 254.15
    acetyl acetate 159.44
    di(2-ethylhexyl) phthalate 192.37
    ethyl propionate 229.49
    nitromethane 88.16
    1,2-diethoxyethane 536.02
    benzonitrile 174.76
    trioctyl phosphate 203.88
    1-bromopropane 464.5
    gamma-valerolactone 403.53
    n-decanol 328.77
    triethyl phosphate 281.15
    4-methyl-2-pentanol 271.96
    propionitrile 176.73
    vinylene carbonate 151.96
    1,1,2-trichlorotrifluoroethane 192.5
    DMS 176.51
    cumene 200.88
    2-octanol 309.72
    2-hexanone 319.26
    octyl acetate 354.56
    limonene 916.17
    1,2-dimethoxyethane 376.05
    ethyl orthosilicate 324.26
    tributyl phosphate 236.26
    diacetone alcohol 308.14
    N,N-dimethylaniline 204.22
    acrylonitrile 111.47
    aniline 192.01
    1,3-propanediol 97.93
    bromobenzene 293.47
    dibromomethane 362.88
    1,1,2,2-tetrachloroethane 391.58
    2-methyl-cyclohexyl acetate 576.0
    tetrabutyl urea 280.7
    diisobutyl methanol 672.04
    2-phenylethanol 293.03
    styrene 217.57
    dioctyl adipate 343.03
    dimethyl sulfate 65.78
    ethyl butyrate 599.24
    methyl lactate 81.34
    butyl lactate 228.13
    diethyl carbonate 310.17
    propanediol butyl ether 220.95
    triethyl orthoformate 570.38
    p-tert-butyltoluene 493.89
    methyl 4-tert-butylbenzoate 290.78
    morpholine 575.88
    tert-butylamine 437.02
    n-dodecanol 285.92
    dimethoxymethane 184.96
    ethylene carbonate 165.4
    cyrene 185.94
    2-ethoxyethyl acetate 253.41
    2-ethylhexyl acetate 808.82
    1,2,4-trichlorobenzene 237.76
    4-methylpyridine 342.26
    dibutyl ether 886.62
    2,6-dimethyl-4-heptanol 672.04
    DEF 282.27
    dimethyl isosorbide 568.03
    tetrachloroethylene 237.13
    eugenol 207.3
    triacetin 281.82
    span 80 444.79
    1,4-butanediol 38.06
    1,1-dichloroethane 306.02
    2-methyl-1-pentanol 237.89
    methyl formate 37.3
    2-methyl-1-butanol 287.13
    n-decane 400.0
    butyronitrile 295.14
    3,7-dimethyl-1-octanol 524.7
    1-chlorooctane 530.18
    1-chlorotetradecane 266.6
    n-nonane 458.34
    undecane 297.25
    tert-butylcyclohexane 406.86
    cyclooctane 512.29
    cyclopentanol 343.16
    tetrahydropyran 995.69
    tert-amyl methyl ether 582.97
    2,5,8-trioxanonane 456.23
    1-hexene 784.45
    2-isopropoxyethanol 154.87
    2,2,2-trifluoroethanol 20.88
    methyl butyrate 276.54

    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