2,4,6-Trimethylheptane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2613-61-8

    Molecular formula
    C10H22

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 49.22%
    Fresh 43.04%
    Green 42.93%
    Woody 38.92%
    Mint 35.55%
    Citrus 32.81%
    Spicy 30.68%
    Camphoreous 29.78%
    Sweet 29.58%
    Oily 29.02%

     

    Flavor
    Yeasty 22.98%
    Delicate 22.01%
    Leathery 21.86%
    Glue 21.73%
    Fresh 21.69%
    Bloody 21.65%
    Fishy 21.29%
    Ammonia 21.0%
    Skunky 20.21%
    Rotten 19.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    10.09 (weak base)

    Molecular weight
    142.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    148°C

    Flash point

    • 38.88 ˚C est.

  • Synonyms

    • 2,4,6-Trimethylheptane
    • 2613-61-8
    • Heptane, 2,4,6-trimethyl-
    • 2,4,6-TRIMETHYL HEPTANE
    • DTXSID30180763
    • DTXCID70103254
    • DB-046843
    • NS00096194
    • EN300-7055778
    • Q5651210
    • Z1255415595
    • 813-803-3

  • Applications

    2,4,6-Trimethylheptane (CAS 2613-61-8) is a nonpolar hydrocarbon commonly used as a solvent and processing medium in industrial manufacturing. It serves as a diluent and carrier in formulations for coatings, inks, and adhesives, and is employed as a cleaning and degreasing solvent in maintenance and production. It can function as a processing solvent in polymer and plastics production and may act as an intermediate or feedstock in organic synthesis. In some cases it is considered for use in hydrocarbon fuel blends due to its branched structure, and it should be handled in compliance with local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 626.92
    methanol 356.23
    isopropanol 611.6
    water 0.07
    ethyl acetate 820.46
    n-propanol 611.7
    acetone 761.3
    n-butanol 882.39
    acetonitrile 366.18
    DMF 391.97
    toluene 842.34
    isobutanol 604.16
    1,4-dioxane 1666.47
    methyl acetate 517.8
    THF 3941.36
    2-butanone 773.44
    n-pentanol 555.69
    sec-butanol 709.71
    n-hexane 2496.58
    ethylene glycol 39.46
    NMP 845.85
    cyclohexane 3472.36
    DMSO 391.21
    n-butyl acetate 2412.26
    n-octanol 911.5
    chloroform 1535.75
    n-propyl acetate 687.2
    acetic acid 319.34
    dichloromethane 1153.27
    cyclohexanone 1867.91
    propylene glycol 102.2
    isopropyl acetate 727.45
    DMAc 417.74
    2-ethoxyethanol 322.49
    isopentanol 880.75
    n-heptane 4858.47
    ethyl formate 383.04
    1,2-dichloroethane 844.73
    n-hexanol 2390.18
    2-methoxyethanol 467.55
    isobutyl acetate 590.02
    tetrachloromethane 599.88
    n-pentyl acetate 889.65
    transcutol 1184.41
    n-heptanol 939.54
    ethylbenzene 503.39
    MIBK 678.03
    2-propoxyethanol 1283.22
    tert-butanol 1008.73
    MTBE 1583.14
    2-butoxyethanol 679.84
    propionic acid 319.97
    o-xylene 521.69
    formic acid 37.69
    diethyl ether 1679.12
    m-xylene 630.67
    p-xylene 657.81
    chlorobenzene 702.57
    dimethyl carbonate 129.28
    n-octane 996.53
    formamide 47.28
    cyclopentanone 1558.6
    2-pentanone 922.97
    anisole 468.5
    cyclopentyl methyl ether 2216.03
    gamma-butyrolactone 1171.47
    1-methoxy-2-propanol 464.22
    pyridine 936.98
    3-pentanone 729.01
    furfural 662.15
    n-dodecane 452.31
    diethylene glycol 339.01
    diisopropyl ether 926.62
    tert-amyl alcohol 984.42
    acetylacetone 622.06
    n-hexadecane 523.97
    acetophenone 350.66
    methyl propionate 461.66
    isopentyl acetate 2030.43
    trichloroethylene 1027.07
    n-nonanol 845.87
    cyclohexanol 1422.55
    benzyl alcohol 249.9
    2-ethylhexanol 2402.4
    isooctanol 788.98
    dipropyl ether 3604.74
    1,2-dichlorobenzene 541.41
    ethyl lactate 186.0
    propylene carbonate 816.29
    n-methylformamide 177.22
    2-pentanol 776.63
    n-pentane 1608.88
    1-propoxy-2-propanol 1611.27
    1-methoxy-2-propyl acetate 1086.23
    2-(2-methoxypropoxy) propanol 508.44
    mesitylene 524.34
    ε-caprolactone 1334.72
    p-cymene 896.59
    epichlorohydrin 1073.58
    1,1,1-trichloroethane 1191.09
    2-aminoethanol 121.38
    morpholine-4-carbaldehyde 672.8
    sulfolane 1132.68
    2,2,4-trimethylpentane 623.14
    2-methyltetrahydrofuran 3124.27
    n-hexyl acetate 1298.81
    isooctane 590.78
    2-(2-butoxyethoxy)ethanol 699.24
    sec-butyl acetate 554.59
    tert-butyl acetate 908.84
    decalin 943.22
    glycerin 100.95
    diglyme 1196.97
    acrylic acid 177.68
    isopropyl myristate 723.6
    n-butyric acid 769.29
    acetyl acetate 443.73
    di(2-ethylhexyl) phthalate 365.76
    ethyl propionate 550.48
    nitromethane 312.79
    1,2-diethoxyethane 1281.49
    benzonitrile 469.38
    trioctyl phosphate 420.78
    1-bromopropane 1431.96
    gamma-valerolactone 1273.69
    n-decanol 655.07
    triethyl phosphate 525.01
    4-methyl-2-pentanol 550.25
    propionitrile 487.59
    vinylene carbonate 487.84
    1,1,2-trichlorotrifluoroethane 470.19
    DMS 369.25
    cumene 403.12
    2-octanol 699.94
    2-hexanone 865.38
    octyl acetate 790.23
    limonene 1998.25
    1,2-dimethoxyethane 1002.65
    ethyl orthosilicate 626.41
    tributyl phosphate 483.62
    diacetone alcohol 615.32
    N,N-dimethylaniline 382.01
    acrylonitrile 307.95
    aniline 471.74
    1,3-propanediol 251.42
    bromobenzene 832.18
    dibromomethane 1260.9
    1,1,2,2-tetrachloroethane 1060.64
    2-methyl-cyclohexyl acetate 1195.14
    tetrabutyl urea 591.48
    diisobutyl methanol 1359.64
    2-phenylethanol 638.13
    styrene 502.93
    dioctyl adipate 683.58
    dimethyl sulfate 150.99
    ethyl butyrate 1440.31
    methyl lactate 149.94
    butyl lactate 476.23
    diethyl carbonate 699.04
    propanediol butyl ether 417.03
    triethyl orthoformate 1208.54
    p-tert-butyltoluene 956.33
    methyl 4-tert-butylbenzoate 510.26
    morpholine 1670.37
    tert-butylamine 1141.29
    n-dodecanol 540.24
    dimethoxymethane 518.05
    ethylene carbonate 534.99
    cyrene 337.55
    2-ethoxyethyl acetate 621.5
    2-ethylhexyl acetate 1915.12
    1,2,4-trichlorobenzene 558.86
    4-methylpyridine 1011.36
    dibutyl ether 2136.3
    2,6-dimethyl-4-heptanol 1359.64
    DEF 753.46
    dimethyl isosorbide 1049.43
    tetrachloroethylene 720.76
    eugenol 355.33
    triacetin 540.18
    span 80 678.74
    1,4-butanediol 95.19
    1,1-dichloroethane 980.19
    2-methyl-1-pentanol 583.49
    methyl formate 148.72
    2-methyl-1-butanol 771.58
    n-decane 871.99
    butyronitrile 879.1
    3,7-dimethyl-1-octanol 1044.98
    1-chlorooctane 1213.39
    1-chlorotetradecane 518.66
    n-nonane 1078.33
    undecane 603.45
    tert-butylcyclohexane 913.55
    cyclooctane 1628.54
    cyclopentanol 1113.77
    tetrahydropyran 3295.86
    tert-amyl methyl ether 1233.43
    2,5,8-trioxanonane 733.66
    1-hexene 2258.38
    2-isopropoxyethanol 321.43
    2,2,2-trifluoroethanol 73.36
    methyl butyrate 754.72

    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

Botanical

Name CAS Botanical Proportion
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.12%