3-Ethyl-2-methylheptane

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  • Identifiers

    CAS number
    14676-29-0

    Molecular formula
    C10H22

    SMILES
    CCCCC(CC)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fresh 37.45%
    Herbal 36.97%
    Sweet 34.2%
    Citrus 30.61%
    Gassy 30.48%
    Waxy 29.82%
    Woody 29.65%
    Oily 29.52%
    Spicy 24.14%
    Ethereal 24.06%

     

    Flavor
    Alkane 35.52%
    Gasoline 26.25%
    Fresh 23.77%
    Citrus 22.72%
    Delicate 22.34%
    Leathery 21.78%
    Yeasty 21.21%
    Glue 21.14%
    Skunky 21.0%
    Bloody 20.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    9.87 (weak base)

    Molecular weight
    142.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 45.46 ˚C est.

  • Synonyms

    • 3-Ethyl-2-methylheptane
    • 14676-29-0
    • DTXSID40871231
    • RefChem:501332
    • DTXCID20818902
    • 2-Methyl-3-ethylheptane
    • Heptane, 3-ethyl-2-methyl-
    • 2-methyl-3-ethyl-heptane
    • Heptane,3-ethyl-2-methyl-
    • SCHEMBL162476
    • SCHEMBL598482
    • SCHEMBL1974135
    • SCHEMBL2152864
    • SCHEMBL2937106
    • SCHEMBL5984532
    • SCHEMBL8411126
    • SCHEMBL9204932
    • SCHEMBL10742718
    • SCHEMBL12475428
    • SCHEMBL27519788
    • SCHEMBL28199388
    • LMFA11000605
    • AKOS006271538
    • Q5481720
    • 14676-29-0

  • Applications

    3-Ethyl-2-methylheptane (CAS 14676-29-0) is a nonpolar, branched C10 aliphatic hydrocarbon commonly used as a solvent and diluent in industrial formulations. In coatings, inks, and adhesives, it acts as a solvent and carrier for resins and pigments. It is employed in cleaning and degreasing formulations for metal finishing, electronics, and general industrial use. As a component in petrochemical streams and fuel blends, as well as a base-oil constituent in lubricant formulations, it serves as a blending solvent or processing diluent. Uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1522.0
    methanol 531.38
    isopropanol 1942.82
    water 0.02
    ethyl acetate 2608.72
    n-propanol 1817.21
    acetone 2161.84
    n-butanol 2609.18
    acetonitrile 1301.21
    DMF 847.93
    toluene 2086.3
    isobutanol 1693.55
    1,4-dioxane 4377.65
    methyl acetate 1517.0
    THF 9143.75
    2-butanone 2507.5
    n-pentanol 1748.04
    sec-butanol 2272.7
    n-hexane 4989.58
    ethylene glycol 43.71
    NMP 1117.45
    cyclohexane 6225.21
    DMSO 1044.8
    n-butyl acetate 8878.12
    n-octanol 1762.46
    chloroform 4346.25
    n-propyl acetate 2192.98
    acetic acid 498.87
    dichloromethane 3967.38
    cyclohexanone 4479.63
    propylene glycol 144.61
    isopropyl acetate 1988.21
    DMAc 757.99
    2-ethoxyethanol 861.98
    isopentanol 2482.86
    n-heptane 9776.18
    ethyl formate 1104.5
    1,2-dichloroethane 2921.18
    n-hexanol 5834.74
    2-methoxyethanol 1117.79
    isobutyl acetate 1515.14
    tetrachloromethane 1378.14
    n-pentyl acetate 2437.97
    transcutol 3276.28
    n-heptanol 2024.88
    ethylbenzene 1156.3
    MIBK 1788.89
    2-propoxyethanol 3045.97
    tert-butanol 3267.0
    MTBE 5181.68
    2-butoxyethanol 1555.38
    propionic acid 657.8
    o-xylene 1070.22
    formic acid 34.01
    diethyl ether 6027.71
    m-xylene 1255.18
    p-xylene 1383.92
    chlorobenzene 1705.81
    dimethyl carbonate 200.67
    n-octane 1818.08
    formamide 64.11
    cyclopentanone 3412.72
    2-pentanone 2798.09
    anisole 1183.79
    cyclopentyl methyl ether 4471.72
    gamma-butyrolactone 2251.07
    1-methoxy-2-propanol 1150.28
    pyridine 3172.18
    3-pentanone 1788.08
    furfural 1228.24
    n-dodecane 714.29
    diethylene glycol 564.15
    diisopropyl ether 2276.23
    tert-amyl alcohol 2879.28
    acetylacetone 1476.7
    n-hexadecane 838.07
    acetophenone 764.68
    methyl propionate 1106.31
    isopentyl acetate 6495.48
    trichloroethylene 3059.47
    n-nonanol 1555.71
    cyclohexanol 2973.35
    benzyl alcohol 559.65
    2-ethylhexanol 6038.25
    isooctanol 1746.87
    dipropyl ether 10826.89
    1,2-dichlorobenzene 1260.5
    ethyl lactate 326.59
    propylene carbonate 1480.83
    n-methylformamide 342.86
    2-pentanol 2354.95
    n-pentane 3427.89
    1-propoxy-2-propanol 3999.68
    1-methoxy-2-propyl acetate 2574.63
    2-(2-methoxypropoxy) propanol 860.6
    mesitylene 919.96
    ε-caprolactone 3177.58
    p-cymene 1966.25
    epichlorohydrin 3073.33
    1,1,1-trichloroethane 3694.32
    2-aminoethanol 196.06
    morpholine-4-carbaldehyde 1217.52
    sulfolane 1866.32
    2,2,4-trimethylpentane 1009.74
    2-methyltetrahydrofuran 8116.23
    n-hexyl acetate 2765.3
    isooctane 979.63
    2-(2-butoxyethoxy)ethanol 1396.65
    sec-butyl acetate 1504.59
    tert-butyl acetate 2206.36
    decalin 1534.74
    glycerin 128.08
    diglyme 2710.92
    acrylic acid 289.88
    isopropyl myristate 1216.58
    n-butyric acid 2020.47
    acetyl acetate 941.87
    di(2-ethylhexyl) phthalate 546.5
    ethyl propionate 1493.18
    nitromethane 695.17
    1,2-diethoxyethane 4788.46
    benzonitrile 1297.42
    trioctyl phosphate 605.36
    1-bromopropane 5390.38
    gamma-valerolactone 2754.26
    n-decanol 1159.87
    triethyl phosphate 961.44
    4-methyl-2-pentanol 1353.12
    propionitrile 1861.66
    vinylene carbonate 941.71
    1,1,2-trichlorotrifluoroethane 872.45
    DMS 644.69
    cumene 778.5
    2-octanol 1559.47
    2-hexanone 2806.05
    octyl acetate 1278.83
    limonene 4252.08
    1,2-dimethoxyethane 3331.57
    ethyl orthosilicate 1163.9
    tributyl phosphate 762.39
    diacetone alcohol 1339.49
    N,N-dimethylaniline 755.63
    acrylonitrile 1094.63
    aniline 1166.0
    1,3-propanediol 528.48
    bromobenzene 2120.24
    dibromomethane 4265.66
    1,1,2,2-tetrachloroethane 2794.59
    2-methyl-cyclohexyl acetate 2172.96
    tetrabutyl urea 908.31
    diisobutyl methanol 2947.84
    2-phenylethanol 1412.07
    styrene 1301.02
    dioctyl adipate 1094.44
    dimethyl sulfate 225.1
    ethyl butyrate 4633.34
    methyl lactate 226.72
    butyl lactate 985.67
    diethyl carbonate 1835.96
    propanediol butyl ether 713.82
    triethyl orthoformate 2923.61
    p-tert-butyltoluene 1914.58
    methyl 4-tert-butylbenzoate 793.76
    morpholine 4858.43
    tert-butylamine 3566.55
    n-dodecanol 918.72
    dimethoxymethane 1107.39
    ethylene carbonate 1090.97
    cyrene 454.86
    2-ethoxyethyl acetate 1631.51
    2-ethylhexyl acetate 5765.16
    1,2,4-trichlorobenzene 1212.74
    4-methylpyridine 3110.81
    dibutyl ether 5542.56
    2,6-dimethyl-4-heptanol 2947.84
    DEF 1988.95
    dimethyl isosorbide 1628.99
    tetrachloroethylene 1746.15
    eugenol 594.51
    triacetin 855.0
    span 80 1140.87
    1,4-butanediol 180.84
    1,1-dichloroethane 3602.46
    2-methyl-1-pentanol 1657.75
    methyl formate 261.71
    2-methyl-1-butanol 2196.68
    n-decane 1491.95
    butyronitrile 3470.7
    3,7-dimethyl-1-octanol 2121.74
    1-chlorooctane 2566.02
    1-chlorotetradecane 871.03
    n-nonane 1839.93
    undecane 967.45
    tert-butylcyclohexane 1434.54
    cyclooctane 2345.04
    cyclopentanol 2326.33
    tetrahydropyran 9903.97
    tert-amyl methyl ether 3191.57
    2,5,8-trioxanonane 1365.08
    1-hexene 6626.78
    2-isopropoxyethanol 851.21
    2,2,2-trifluoroethanol 80.63
    methyl butyrate 2210.41

    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