4-Methyloctane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2216-34-4

    Molecular formula
    C9H20

    SMILES
    CCCCC(C)CCC

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 53.74%
    Gassy 44.19%
    Fresh 31.46%
    Citrus 30.41%
    Ethereal 29.96%
    Herbal 26.34%
    Waxy 24.91%
    Oily 22.7%
    Musty 20.1%
    Lemon 19.85%

     

    Flavor
    Alkane 58.18%
    Gasoline 33.77%
    Fishy 23.02%
    Ammonia 22.22%
    Ammoniacal 22.18%
    Delicate 22.08%
    Leathery 21.52%
    Skunky 21.37%
    Rotten 21.31%
    Glue 21.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    9.68 (weak base)

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    139°C

    Flash point

    • 30.46 ˚C est.

  • Synonyms

    • 4-METHYLOCTANE
    • 2216-34-4
    • Octane, 4-methyl-
    • EINECS 218-687-2
    • NSC 23691
    • DTXSID90862876
    • Octane, 4methyl
    • RefChem:525623
    • Octane, 4-methyl-(8CI)
    • DTXCID10811583
    • Octane, 4-methyl-(8CI)(9CI)
    • 218-687-2
    • 4-methyl-octane
    • MFCD00039963
    • (+/-)-4-Methyloctane; NSC 23691
    • 1,3-dimethylheptane
    • SCHEMBL55980
    • SCHEMBL55981
    • SCHEMBL56670
    • SCHEMBL56695
    • SCHEMBL77753
    • SCHEMBL83684
    • SCHEMBL101443
    • SCHEMBL101463
    • SCHEMBL102559
    • SCHEMBL1805657
    • SCHEMBL3329485
    • SCHEMBL4620039
    • SCHEMBL6684378
    • SCHEMBL8799884
    • SCHEMBL9130787
    • SCHEMBL11164544
    • SCHEMBL12475224
    • SCHEMBL12475292
    • NSC23691
    • LMFA11000433
    • NSC-23691
    • FM29502
    • DB-045823
    • NS00049658
    • ( inverted exclamation markA)-4-Methyloctane
    • G89991
    • Q2816675
    • 2216-34-4

  • Applications

    4-Methyloctane (CAS 2216-34-4) is a branched C9 aliphatic hydrocarbon commonly used as a nonpolar solvent and processing diluent in several industrial sectors. In industrial manufacturing, it serves as a solvent for organic synthesis and formulation work; in coatings and inks, it functions as a solvent and viscosity modifier to aid film formation; in adhesives, it provides a nonpolar medium for dissolving components; in cleaning, it acts as a degreasing solvent for equipment and parts; in polymers and plastics processing, it can be used as a processing solvent or carrier for additives; and as a component in fuel blends or as a diluent in hydrocarbon processing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4851.5
    methanol 2055.14
    isopropanol 6315.21
    water 0.03
    ethyl acetate 7580.01
    n-propanol 5971.88
    acetone 7854.38
    n-butanol 8676.27
    acetonitrile 3767.25
    DMF 3066.63
    toluene 5083.03
    isobutanol 5497.57
    1,4-dioxane 10620.44
    methyl acetate 4489.6
    THF 21039.29
    2-butanone 8169.65
    n-pentanol 5720.76
    sec-butanol 7517.2
    n-hexane 18116.41
    ethylene glycol 186.02
    NMP 2904.78
    cyclohexane 18625.07
    DMSO 3768.02
    n-butyl acetate 22707.03
    n-octanol 4009.64
    chloroform 10567.79
    n-propyl acetate 6251.54
    acetic acid 1511.81
    dichloromethane 9133.41
    cyclohexanone 12214.34
    propylene glycol 528.02
    isopropyl acetate 5817.7
    DMAc 2170.32
    2-ethoxyethanol 2720.43
    isopentanol 8586.61
    n-heptane 23716.35
    ethyl formate 2860.12
    1,2-dichloroethane 7870.78
    n-hexanol 16513.92
    2-methoxyethanol 3747.85
    isobutyl acetate 4085.35
    tetrachloromethane 3755.35
    n-pentyl acetate 5647.84
    transcutol 8453.52
    n-heptanol 4398.87
    ethylbenzene 2737.65
    MIBK 5982.8
    2-propoxyethanol 9121.9
    tert-butanol 10567.5
    MTBE 17220.1
    2-butoxyethanol 3819.85
    propionic acid 2156.11
    o-xylene 2341.68
    formic acid 111.49
    diethyl ether 18998.32
    m-xylene 2980.4
    p-xylene 3113.48
    chlorobenzene 3929.37
    dimethyl carbonate 610.44
    n-octane 4247.73
    formamide 197.2
    cyclopentanone 9171.31
    2-pentanone 9287.5
    anisole 2876.39
    cyclopentyl methyl ether 12452.1
    gamma-butyrolactone 5640.82
    1-methoxy-2-propanol 3926.55
    pyridine 7516.33
    3-pentanone 5574.29
    furfural 2864.05
    n-dodecane 1585.44
    diethylene glycol 1752.43
    diisopropyl ether 7472.74
    tert-amyl alcohol 9029.07
    acetylacetone 4214.16
    n-hexadecane 1860.22
    acetophenone 1683.3
    methyl propionate 3536.31
    isopentyl acetate 15912.7
    trichloroethylene 7873.46
    n-nonanol 3546.39
    cyclohexanol 8447.09
    benzyl alcohol 1461.62
    2-ethylhexanol 15167.84
    isooctanol 3940.14
    dipropyl ether 29965.39
    1,2-dichlorobenzene 2725.24
    ethyl lactate 911.97
    propylene carbonate 3353.57
    n-methylformamide 1109.95
    2-pentanol 7799.89
    n-pentane 11380.04
    1-propoxy-2-propanol 10935.81
    1-methoxy-2-propyl acetate 6298.73
    2-(2-methoxypropoxy) propanol 1832.84
    mesitylene 2147.27
    ε-caprolactone 7785.88
    p-cymene 3818.45
    epichlorohydrin 7706.45
    1,1,1-trichloroethane 9691.16
    2-aminoethanol 719.01
    morpholine-4-carbaldehyde 3097.19
    sulfolane 4644.63
    2,2,4-trimethylpentane 3176.85
    2-methyltetrahydrofuran 20590.56
    n-hexyl acetate 6379.9
    isooctane 3142.08
    2-(2-butoxyethoxy)ethanol 3195.01
    sec-butyl acetate 4298.76
    tert-butyl acetate 6607.29
    decalin 3942.72
    glycerin 441.17
    diglyme 6227.86
    acrylic acid 970.36
    isopropyl myristate 2572.51
    n-butyric acid 6243.33
    acetyl acetate 2516.52
    di(2-ethylhexyl) phthalate 1064.52
    ethyl propionate 4448.11
    nitromethane 2151.14
    1,2-diethoxyethane 12096.11
    benzonitrile 2919.8
    trioctyl phosphate 1245.6
    1-bromopropane 15272.63
    gamma-valerolactone 7024.91
    n-decanol 2577.01
    triethyl phosphate 2052.07
    4-methyl-2-pentanol 4659.79
    propionitrile 5764.53
    vinylene carbonate 2072.66
    1,1,2-trichlorotrifluoroethane 2538.21
    DMS 1381.92
    cumene 1745.31
    2-octanol 3453.51
    2-hexanone 8452.24
    octyl acetate 2674.82
    limonene 9189.55
    1,2-dimethoxyethane 9103.12
    ethyl orthosilicate 2749.84
    tributyl phosphate 1590.72
    diacetone alcohol 3845.07
    N,N-dimethylaniline 1786.98
    acrylonitrile 3427.6
    aniline 3238.38
    1,3-propanediol 1733.76
    bromobenzene 4795.47
    dibromomethane 10101.48
    1,1,2,2-tetrachloroethane 7276.52
    2-methyl-cyclohexyl acetate 4831.36
    tetrabutyl urea 1903.9
    diisobutyl methanol 7347.76
    2-phenylethanol 3226.78
    styrene 3213.85
    dioctyl adipate 2150.48
    dimethyl sulfate 626.16
    ethyl butyrate 11401.42
    methyl lactate 665.28
    butyl lactate 2310.45
    diethyl carbonate 4370.29
    propanediol butyl ether 1770.41
    triethyl orthoformate 7253.77
    p-tert-butyltoluene 3814.88
    methyl 4-tert-butylbenzoate 1528.79
    morpholine 12743.12
    tert-butylamine 12021.76
    n-dodecanol 2064.8
    dimethoxymethane 3570.05
    ethylene carbonate 2602.96
    cyrene 913.83
    2-ethoxyethyl acetate 3582.97
    2-ethylhexyl acetate 13934.98
    1,2,4-trichlorobenzene 2541.8
    4-methylpyridine 7507.7
    dibutyl ether 14905.52
    2,6-dimethyl-4-heptanol 7347.76
    DEF 6022.96
    dimethyl isosorbide 3158.34
    tetrachloroethylene 4787.31
    eugenol 1163.0
    triacetin 1798.17
    span 80 2505.81
    1,4-butanediol 590.44
    1,1-dichloroethane 10244.08
    2-methyl-1-pentanol 5447.57
    methyl formate 787.39
    2-methyl-1-butanol 7052.96
    n-decane 3433.13
    butyronitrile 10332.52
    3,7-dimethyl-1-octanol 5335.93
    1-chlorooctane 5653.75
    1-chlorotetradecane 1916.02
    n-nonane 4306.35
    undecane 2206.43
    tert-butylcyclohexane 3729.75
    cyclooctane 6080.18
    cyclopentanol 6503.97
    tetrahydropyran 25342.2
    tert-amyl methyl ether 10161.08
    2,5,8-trioxanonane 2735.21
    1-hexene 22999.05
    2-isopropoxyethanol 2648.93
    2,2,2-trifluoroethanol 240.11
    methyl butyrate 6528.31

    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