3-Methylheptadecane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6418-44-6

    Molecular formula
    C18H38

    SMILES
    CCCCCCCCCCCCCCC(C)CC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 79.79%
    Fatty 34.03%
    Oily 32.17%
    Odorless 20.9%
    Sweet 20.79%
    Gassy 19.77%
    Fishy 19.23%
    Meaty 17.86%
    Burnt 14.7%
    Savory 14.58%

     

    Flavor
    Alkane 64.36%
    Waxy 47.87%
    Bland 24.4%
    Mild 23.84%
    Delicate 22.31%
    Slightly waxy 22.07%
    Incense 20.82%
    Citrus peel 20.75%
    Grapefruit peel 20.23%
    Low 19.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    8.47 (weak base)

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 139.04 ˚C est.

  • Synonyms

    • 3-Methylheptadecane
    • Heptadecane, 3-methyl-
    • Hexadecane, 2-ethyl
    • DTXSID10880754
    • Heptadecane, 3methyl
    • RefChem:94910
    • DTXCID101022115
    • 680-585-2
    • HPDKJRSKBCPMIY-UHFFFAOYSA-N
    • 6418-44-6
    • 3-methyl-heptadecane
    • SCHEMBL101878
    • SCHEMBL103955
    • SCHEMBL1116287
    • SCHEMBL2461382
    • SCHEMBL5985470
    • SCHEMBL6884225
    • SCHEMBL8618244
    • SCHEMBL10741611
    • SCHEMBL11091492
    • LMFA11000397
    • NS00096072
    • Q67879600
    • 6418-44-6

  • Applications

    3-Methylheptadecane (CAS 6418-44-6) is a branched long-chain hydrocarbon used in several practical applications: as a fragrance ingredient and potential fixative in perfumery; as a solvent or carrier solvent in cosmetics and personal care formulations; as a solvent for household and cleaning products; as a nonpolar solvent or processing aid in industrial manufacturing for coatings, inks, and adhesives; and as a diluent or processing aid in polymer and plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 191.08
    methanol 55.64
    isopropanol 351.71
    water 0.0
    ethyl acetate 2656.93
    n-propanol 358.66
    acetone 1236.72
    n-butanol 651.16
    acetonitrile 247.65
    DMF 576.88
    toluene 1916.62
    isobutanol 449.34
    1,4-dioxane 2800.54
    methyl acetate 984.98
    THF 6660.92
    2-butanone 1801.34
    n-pentanol 475.89
    sec-butanol 637.97
    n-hexane 2822.16
    ethylene glycol 4.94
    NMP 1344.22
    cyclohexane 7813.73
    DMSO 751.18
    n-butyl acetate 6588.06
    n-octanol 715.53
    chloroform 3307.44
    n-propyl acetate 2556.83
    acetic acid 136.29
    dichloromethane 3207.01
    cyclohexanone 4876.96
    propylene glycol 24.48
    isopropyl acetate 2918.42
    DMAc 1041.78
    2-ethoxyethanol 421.0
    isopentanol 1034.59
    n-heptane 6581.98
    ethyl formate 506.28
    1,2-dichloroethane 3004.35
    n-hexanol 1214.86
    2-methoxyethanol 397.8
    isobutyl acetate 2162.67
    tetrachloromethane 1383.07
    n-pentyl acetate 3008.05
    transcutol 3390.94
    n-heptanol 742.53
    ethylbenzene 1227.05
    MIBK 2507.71
    2-propoxyethanol 1119.01
    tert-butanol 1140.36
    MTBE 4188.39
    2-butoxyethanol 903.98
    propionic acid 245.73
    o-xylene 1394.6
    formic acid 5.82
    diethyl ether 4195.07
    m-xylene 1361.79
    p-xylene 1631.41
    chlorobenzene 1542.02
    dimethyl carbonate 262.32
    n-octane 1400.21
    formamide 15.59
    cyclopentanone 3433.73
    2-pentanone 2768.94
    anisole 1515.43
    cyclopentyl methyl ether 5450.71
    gamma-butyrolactone 2152.16
    1-methoxy-2-propanol 612.12
    pyridine 2061.25
    3-pentanone 2331.45
    furfural 1125.05
    n-dodecane 422.52
    diethylene glycol 179.46
    diisopropyl ether 2990.47
    tert-amyl alcohol 1291.17
    acetylacetone 2102.28
    n-hexadecane 532.53
    acetophenone 1278.42
    methyl propionate 1214.39
    isopentyl acetate 6174.89
    trichloroethylene 3523.54
    n-nonanol 818.86
    cyclohexanol 1744.33
    benzyl alcohol 428.05
    2-ethylhexanol 2414.04
    isooctanol 983.02
    dipropyl ether 10684.85
    1,2-dichlorobenzene 1648.16
    ethyl lactate 399.12
    propylene carbonate 1456.73
    n-methylformamide 118.83
    2-pentanol 943.38
    n-pentane 1763.93
    1-propoxy-2-propanol 2144.14
    1-methoxy-2-propyl acetate 3193.26
    2-(2-methoxypropoxy) propanol 928.82
    mesitylene 1275.89
    ε-caprolactone 3294.2
    p-cymene 1869.86
    epichlorohydrin 2888.25
    1,1,1-trichloroethane 4536.48
    2-aminoethanol 29.39
    morpholine-4-carbaldehyde 1214.08
    sulfolane 2626.8
    2,2,4-trimethylpentane 910.46
    2-methyltetrahydrofuran 6375.46
    n-hexyl acetate 2671.01
    isooctane 831.6
    2-(2-butoxyethoxy)ethanol 1199.49
    sec-butyl acetate 2746.64
    tert-butyl acetate 4298.53
    decalin 1842.64
    glycerin 33.81
    diglyme 3203.71
    acrylic acid 103.97
    isopropyl myristate 1683.9
    n-butyric acid 1002.53
    acetyl acetate 1319.13
    di(2-ethylhexyl) phthalate 547.23
    ethyl propionate 2487.16
    nitromethane 336.55
    1,2-diethoxyethane 5703.24
    benzonitrile 778.31
    trioctyl phosphate 569.74
    1-bromopropane 4123.32
    gamma-valerolactone 2643.16
    n-decanol 592.96
    triethyl phosphate 1799.63
    4-methyl-2-pentanol 860.12
    propionitrile 563.39
    vinylene carbonate 777.4
    1,1,2-trichlorotrifluoroethane 919.33
    DMS 998.66
    cumene 959.5
    2-octanol 791.08
    2-hexanone 2476.22
    octyl acetate 1441.42
    limonene 4235.29
    1,2-dimethoxyethane 2516.62
    ethyl orthosilicate 2161.91
    tributyl phosphate 819.95
    diacetone alcohol 1780.82
    N,N-dimethylaniline 1225.3
    acrylonitrile 320.69
    aniline 863.03
    1,3-propanediol 117.98
    bromobenzene 2353.06
    dibromomethane 2931.82
    1,1,2,2-tetrachloroethane 3884.21
    2-methyl-cyclohexyl acetate 3184.28
    tetrabutyl urea 1174.2
    diisobutyl methanol 2484.69
    2-phenylethanol 745.2
    styrene 1314.45
    dioctyl adipate 1604.06
    dimethyl sulfate 445.17
    ethyl butyrate 6444.53
    methyl lactate 209.14
    butyl lactate 990.23
    diethyl carbonate 2893.48
    propanediol butyl ether 386.35
    triethyl orthoformate 4885.77
    p-tert-butyltoluene 1931.21
    methyl 4-tert-butylbenzoate 1413.19
    morpholine 2930.54
    tert-butylamine 1358.47
    n-dodecanol 497.13
    dimethoxymethane 964.64
    ethylene carbonate 1006.35
    cyrene 552.81
    2-ethoxyethyl acetate 2172.81
    2-ethylhexyl acetate 5900.94
    1,2,4-trichlorobenzene 1689.54
    4-methylpyridine 2189.19
    dibutyl ether 6137.54
    2,6-dimethyl-4-heptanol 2484.69
    DEF 2426.2
    dimethyl isosorbide 2259.61
    tetrachloroethylene 2148.73
    eugenol 707.1
    triacetin 1635.96
    span 80 914.31
    1,4-butanediol 43.11
    1,1-dichloroethane 2937.01
    2-methyl-1-pentanol 796.65
    methyl formate 104.66
    2-methyl-1-butanol 813.32
    n-decane 1040.85
    butyronitrile 1107.75
    3,7-dimethyl-1-octanol 1416.36
    1-chlorooctane 2151.27
    1-chlorotetradecane 749.37
    n-nonane 1240.45
    undecane 608.86
    tert-butylcyclohexane 1485.42
    cyclooctane 2808.51
    cyclopentanol 1144.02
    tetrahydropyran 7655.77
    tert-amyl methyl ether 3362.45
    2,5,8-trioxanonane 1731.92
    1-hexene 3160.79
    2-isopropoxyethanol 564.05
    2,2,2-trifluoroethanol 43.82
    methyl butyrate 2964.35

    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