2,4-Dimethylheptane

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  • Identifiers

    CAS number
    2213-23-2

    Molecular formula
    C9H20

    SMILES
    CCCC(C)CC(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 47.12%
    Fresh 43.42%
    Sweet 39.62%
    Citrus 35.29%
    Green 32.48%
    Gassy 32.44%
    Woody 31.48%
    Mint 30.09%
    Spicy 29.67%
    Ethereal 29.02%

     

    Flavor
    Gasoline 24.33%
    Fishy 23.81%
    Alkane 23.25%
    Ammonia 23.06%
    Delicate 22.45%
    Yeasty 22.42%
    Leathery 22.28%
    Fresh 22.24%
    Glue 22.03%
    Bloody 21.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.93 (weak base)

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 26.67 ˚C est.

  • Synonyms

    • 2,4-DIMETHYLHEPTANE
    • 2213-23-2
    • Heptane, 2,4-dimethyl-
    • AUKVIBNBLXQNIZ-UHFFFAOYSA-
    • CHEBI:141558
    • DTXSID10862873
    • Heptane, 2,4dimethyl
    • RefChem:443783
    • DTXCID30811580
    • 623-649-7
    • InChI=1/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3
    • MFCD00048738
    • heptane, 2,4-dimethyl
    • SCHEMBL93158
    • SCHEMBL93159
    • SCHEMBL100661
    • SCHEMBL104397
    • SCHEMBL1856830
    • SCHEMBL2634021
    • SCHEMBL4268932
    • SCHEMBL4360649
    • SCHEMBL4620114
    • SCHEMBL7010805
    • SCHEMBL7916787
    • SCHEMBL9730619
    • SCHEMBL10493687
    • LMFA11000612
    • AKOS028110008
    • CS-W004343
    • LS-13715
    • D1204
    • NS00120239
    • F17729
    • Q2813779
    • 2213-23-2

  • Applications

    2,4-Dimethylheptane (CAS 2213-23-2) is a non-polar aliphatic hydrocarbon commonly used as a solvent and diluent in industrial formulations. It is applicable as a process solvent in coatings, inks, and adhesives, helping dissolve hydrocarbon resins and adjust formulation viscosity. It may be used as a cleaning or degreasing solvent for metalworking equipment due to its solvency properties. It can serve as a processing solvent in polymers and plastics manufacturing, aiding resin blending and compounding. In some cases, it is considered as an intermediate or feedstock in organic synthesis or as a reference component in analytical testing; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2252.57
    methanol 1105.45
    isopropanol 2338.77
    water 0.05
    ethyl acetate 2169.39
    n-propanol 2179.31
    acetone 2178.66
    n-butanol 3147.02
    acetonitrile 1217.78
    DMF 912.94
    toluene 1550.69
    isobutanol 1887.27
    1,4-dioxane 3780.34
    methyl acetate 1309.31
    THF 8247.1
    2-butanone 2003.88
    n-pentanol 1876.1
    sec-butanol 2290.67
    n-hexane 5528.27
    ethylene glycol 94.95
    NMP 1230.2
    cyclohexane 6250.54
    DMSO 1044.8
    n-butyl acetate 6522.0
    n-octanol 1886.83
    chloroform 3424.0
    n-propyl acetate 1683.4
    acetic acid 761.39
    dichloromethane 2815.32
    cyclohexanone 3921.31
    propylene glycol 246.48
    isopropyl acetate 1669.97
    DMAc 729.59
    2-ethoxyethanol 908.12
    isopentanol 2766.77
    n-heptane 10094.76
    ethyl formate 985.01
    1,2-dichloroethane 2079.45
    n-hexanol 7207.71
    2-methoxyethanol 1355.03
    isobutyl acetate 1212.06
    tetrachloromethane 1164.39
    n-pentyl acetate 1852.6
    transcutol 2788.89
    n-heptanol 2165.78
    ethylbenzene 874.36
    MIBK 1586.84
    2-propoxyethanol 3579.91
    tert-butanol 3240.79
    MTBE 4194.5
    2-butoxyethanol 1557.97
    propionic acid 782.69
    o-xylene 828.86
    formic acid 73.95
    diethyl ether 4861.8
    m-xylene 1060.36
    p-xylene 1062.29
    chlorobenzene 1212.06
    dimethyl carbonate 199.77
    n-octane 1743.47
    formamide 98.0
    cyclopentanone 2984.81
    2-pentanone 2586.79
    anisole 847.96
    cyclopentyl methyl ether 4204.32
    gamma-butyrolactone 2092.32
    1-methoxy-2-propanol 1271.39
    pyridine 2078.68
    3-pentanone 1581.26
    furfural 1111.03
    n-dodecane 777.22
    diethylene glycol 803.26
    diisopropyl ether 2058.75
    tert-amyl alcohol 2675.34
    acetylacetone 1279.42
    n-hexadecane 884.69
    acetophenone 550.66
    methyl propionate 1020.4
    isopentyl acetate 4905.78
    trichloroethylene 2126.33
    n-nonanol 1663.63
    cyclohexanol 3126.06
    benzyl alcohol 477.25
    2-ethylhexanol 5953.61
    isooctanol 1728.76
    dipropyl ether 8922.26
    1,2-dichlorobenzene 844.82
    ethyl lactate 314.59
    propylene carbonate 1339.05
    n-methylformamide 441.44
    2-pentanol 2507.1
    n-pentane 3828.95
    1-propoxy-2-propanol 4105.44
    1-methoxy-2-propyl acetate 2265.71
    2-(2-methoxypropoxy) propanol 871.11
    mesitylene 818.48
    ε-caprolactone 2652.03
    p-cymene 1611.79
    epichlorohydrin 2406.46
    1,1,1-trichloroethane 2463.61
    2-aminoethanol 328.35
    morpholine-4-carbaldehyde 1189.06
    sulfolane 1812.4
    2,2,4-trimethylpentane 1188.11
    2-methyltetrahydrofuran 7019.11
    n-hexyl acetate 2330.95
    isooctane 1141.83
    2-(2-butoxyethoxy)ethanol 1396.26
    sec-butyl acetate 1176.62
    tert-butyl acetate 1836.81
    decalin 1439.09
    glycerin 211.09
    diglyme 2387.39
    acrylic acid 369.28
    isopropyl myristate 1125.05
    n-butyric acid 2144.02
    acetyl acetate 852.38
    di(2-ethylhexyl) phthalate 549.55
    ethyl propionate 1169.56
    nitromethane 764.07
    1,2-diethoxyethane 3279.99
    benzonitrile 946.29
    trioctyl phosphate 631.58
    1-bromopropane 3886.31
    gamma-valerolactone 2440.19
    n-decanol 1255.17
    triethyl phosphate 773.4
    4-methyl-2-pentanol 1465.87
    propionitrile 1563.01
    vinylene carbonate 789.14
    1,1,2-trichlorotrifluoroethane 875.5
    DMS 558.41
    cumene 618.87
    2-octanol 1531.05
    2-hexanone 2191.01
    octyl acetate 1238.52
    limonene 3837.35
    1,2-dimethoxyethane 2686.58
    ethyl orthosilicate 972.94
    tributyl phosphate 734.67
    diacetone alcohol 1287.95
    N,N-dimethylaniline 587.3
    acrylonitrile 895.5
    aniline 967.54
    1,3-propanediol 751.87
    bromobenzene 1405.57
    dibromomethane 3133.31
    1,1,2,2-tetrachloroethane 2076.49
    2-methyl-cyclohexyl acetate 1975.45
    tetrabutyl urea 884.48
    diisobutyl methanol 2846.31
    2-phenylethanol 1306.21
    styrene 914.74
    dioctyl adipate 1011.38
    dimethyl sulfate 211.04
    ethyl butyrate 3326.88
    methyl lactate 256.15
    butyl lactate 883.67
    diethyl carbonate 1331.13
    propanediol butyl ether 871.93
    triethyl orthoformate 2297.24
    p-tert-butyltoluene 1622.04
    methyl 4-tert-butylbenzoate 692.91
    morpholine 4152.33
    tert-butylamine 3422.72
    n-dodecanol 1016.51
    dimethoxymethane 1155.34
    ethylene carbonate 926.69
    cyrene 456.9
    2-ethoxyethyl acetate 1201.35
    2-ethylhexyl acetate 4395.32
    1,2,4-trichlorobenzene 851.9
    4-methylpyridine 2174.43
    dibutyl ether 4405.7
    2,6-dimethyl-4-heptanol 2846.31
    DEF 1694.84
    dimethyl isosorbide 1515.81
    tetrachloroethylene 1350.47
    eugenol 527.78
    triacetin 770.04
    span 80 1165.59
    1,4-butanediol 247.33
    1,1-dichloroethane 2561.47
    2-methyl-1-pentanol 1666.15
    methyl formate 322.23
    2-methyl-1-butanol 2363.53
    n-decane 1492.56
    butyronitrile 3047.83
    3,7-dimethyl-1-octanol 2150.58
    1-chlorooctane 2244.26
    1-chlorotetradecane 850.21
    n-nonane 1820.75
    undecane 1036.11
    tert-butylcyclohexane 1469.29
    cyclooctane 2503.75
    cyclopentanol 2537.01
    tetrahydropyran 7964.87
    tert-amyl methyl ether 2807.4
    2,5,8-trioxanonane 1283.82
    1-hexene 5867.98
    2-isopropoxyethanol 827.17
    2,2,2-trifluoroethanol 116.21
    methyl butyrate 1720.4

    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