Isooctadecane

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  • Identifiers

    CAS number
    72123-30-9

    Molecular formula
    C18H38

    SMILES
    CCCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.92%
    Fatty 34.25%
    Oily 32.84%
    Odorless 21.33%
    Fishy 20.06%
    Sweet 19.97%
    Gassy 18.56%
    Meaty 17.27%
    Burnt 15.25%
    Savory 15.18%

     

    Flavor
    Alkane 58.61%
    Waxy 43.53%
    Bland 25.19%
    Mild 23.89%
    Delicate 22.82%
    Slightly waxy 21.99%
    Incense 20.49%
    Citrus peel 20.4%
    Grapefruit peel 20.16%
    Diterpene 19.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    8.59 (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

    • 140.6 ˚C est.

  • Synonyms

    • Isooctadecane
    • EINECS 276-354-7
    • 72123-30-9
    • RefChem:791961
    • DTXSID701055441
    • 276-354-7
    • 2-METHYLHEPTADECANE
    • Heptadecane, 2-methyl-
    • 1560-89-0
    • 2-METHYL-HEPTADECANE
    • GK7FXL06Y8
    • NSC-125393
    • Hexadecane, dimethyl-
    • NSC125393
    • NSC 125393
    • heptadecane, 2-methyl
    • AI3-35565
    • UNII-GK7FXL06Y8
    • SCHEMBL55597
    • SCHEMBL101122
    • SCHEMBL170896
    • SCHEMBL1020546
    • SCHEMBL1357477
    • SCHEMBL1417627
    • SCHEMBL2367999
    • SCHEMBL5078457
    • SCHEMBL5459351
    • SCHEMBL8677317
    • SCHEMBL8958561
    • SCHEMBL9204861
    • SCHEMBL9205173
    • DTXSID3073266
    • SCHEMBL10424508
    • SCHEMBL11203521
    • SCHEMBL11445208
    • LMFA11000344
    • 16-Methylheptadecane; NSC 125393
    • NS00096006
    • 1560-89-0

  • Applications

    Isooctadecane (CAS 72123-30-9) is a branched C18 aliphatic hydrocarbon commonly used in formulations as a non-volatile solvent and carrier oil. Representative applications include cosmetics and personal care as a skin-conditioning emollient and carrier for actives or fragrances; perfumery as a solvent and diluent for fragrance oils; coatings and inks as a processing solvent and lubricant to adjust viscosity and film formation; polymers and plastics as a plasticizer or processing aid to modify texture and workability; and cleaning formulations and industrial products as a stable hydrocarbon solvent and diluent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.38
    methanol 47.59
    isopropanol 297.48
    water 0.0
    ethyl acetate 2096.54
    n-propanol 297.43
    acetone 1010.65
    n-butanol 546.98
    acetonitrile 189.57
    DMF 509.48
    toluene 1614.28
    isobutanol 391.53
    1,4-dioxane 2264.25
    methyl acetate 783.04
    THF 5845.03
    2-butanone 1433.64
    n-pentanol 407.73
    sec-butanol 536.61
    n-hexane 2587.89
    ethylene glycol 4.9
    NMP 1279.39
    cyclohexane 7103.18
    DMSO 654.66
    n-butyl acetate 5226.3
    n-octanol 663.04
    chloroform 2783.72
    n-propyl acetate 2032.04
    acetic acid 121.25
    dichloromethane 2576.16
    cyclohexanone 4110.26
    propylene glycol 24.49
    isopropyl acetate 2435.53
    DMAc 930.12
    2-ethoxyethanol 353.09
    isopentanol 893.35
    n-heptane 6064.2
    ethyl formate 410.54
    1,2-dichloroethane 2345.58
    n-hexanol 1068.22
    2-methoxyethanol 336.01
    isobutyl acetate 1863.37
    tetrachloromethane 1158.09
    n-pentyl acetate 2486.73
    transcutol 2831.99
    n-heptanol 674.1
    ethylbenzene 1068.51
    MIBK 2192.8
    2-propoxyethanol 968.39
    tert-butanol 957.42
    MTBE 3322.43
    2-butoxyethanol 789.36
    propionic acid 215.3
    o-xylene 1210.62
    formic acid 5.58
    diethyl ether 3197.41
    m-xylene 1194.13
    p-xylene 1432.19
    chlorobenzene 1277.06
    dimethyl carbonate 234.66
    n-octane 1294.83
    formamide 13.73
    cyclopentanone 3015.76
    2-pentanone 2274.72
    anisole 1271.85
    cyclopentyl methyl ether 4820.61
    gamma-butyrolactone 1933.2
    1-methoxy-2-propanol 534.46
    pyridine 1625.77
    3-pentanone 1943.25
    furfural 980.07
    n-dodecane 411.39
    diethylene glycol 164.85
    diisopropyl ether 2536.95
    tert-amyl alcohol 1103.2
    acetylacetone 1814.6
    n-hexadecane 518.8
    acetophenone 1112.83
    methyl propionate 1030.26
    isopentyl acetate 5033.78
    trichloroethylene 2861.31
    n-nonanol 750.79
    cyclohexanol 1603.25
    benzyl alcohol 372.79
    2-ethylhexanol 2132.9
    isooctanol 876.28
    dipropyl ether 8984.97
    1,2-dichlorobenzene 1379.0
    ethyl lactate 365.15
    propylene carbonate 1326.36
    n-methylformamide 103.7
    2-pentanol 816.64
    n-pentane 1581.72
    1-propoxy-2-propanol 1875.33
    1-methoxy-2-propyl acetate 2686.14
    2-(2-methoxypropoxy) propanol 852.64
    mesitylene 1147.23
    ε-caprolactone 2773.44
    p-cymene 1627.13
    epichlorohydrin 2436.96
    1,1,1-trichloroethane 3757.8
    2-aminoethanol 27.73
    morpholine-4-carbaldehyde 1082.29
    sulfolane 2498.77
    2,2,4-trimethylpentane 848.76
    2-methyltetrahydrofuran 5305.89
    n-hexyl acetate 2346.61
    isooctane 779.59
    2-(2-butoxyethoxy)ethanol 1065.37
    sec-butyl acetate 2260.22
    tert-butyl acetate 3572.41
    decalin 1743.81
    glycerin 33.5
    diglyme 2785.81
    acrylic acid 97.0
    isopropyl myristate 1524.68
    n-butyric acid 847.61
    acetyl acetate 1081.62
    di(2-ethylhexyl) phthalate 507.83
    ethyl propionate 2015.39
    nitromethane 276.67
    1,2-diethoxyethane 4466.18
    benzonitrile 646.43
    trioctyl phosphate 535.37
    1-bromopropane 3266.76
    gamma-valerolactone 2266.52
    n-decanol 549.06
    triethyl phosphate 1558.65
    4-methyl-2-pentanol 765.04
    propionitrile 445.94
    vinylene carbonate 673.7
    1,1,2-trichlorotrifluoroethane 842.95
    DMS 873.63
    cumene 856.8
    2-octanol 704.59
    2-hexanone 2103.2
    octyl acetate 1317.25
    limonene 3752.71
    1,2-dimethoxyethane 2026.11
    ethyl orthosilicate 1896.72
    tributyl phosphate 754.39
    diacetone alcohol 1555.74
    N,N-dimethylaniline 1073.15
    acrylonitrile 254.76
    aniline 740.46
    1,3-propanediol 105.09
    bromobenzene 1936.61
    dibromomethane 2382.94
    1,1,2,2-tetrachloroethane 3285.61
    2-methyl-cyclohexyl acetate 2800.54
    tetrabutyl urea 1072.89
    diisobutyl methanol 2198.9
    2-phenylethanol 652.35
    styrene 1098.12
    dioctyl adipate 1460.77
    dimethyl sulfate 413.51
    ethyl butyrate 5064.03
    methyl lactate 198.7
    butyl lactate 896.01
    diethyl carbonate 2341.12
    propanediol butyl ether 357.75
    triethyl orthoformate 4070.85
    p-tert-butyltoluene 1705.25
    methyl 4-tert-butylbenzoate 1296.71
    morpholine 2345.66
    tert-butylamine 1166.89
    n-dodecanol 463.86
    dimethoxymethane 831.51
    ethylene carbonate 875.44
    cyrene 540.91
    2-ethoxyethyl acetate 1780.65
    2-ethylhexyl acetate 4825.78
    1,2,4-trichlorobenzene 1449.88
    4-methylpyridine 1731.82
    dibutyl ether 5274.59
    2,6-dimethyl-4-heptanol 2198.9
    DEF 2006.08
    dimethyl isosorbide 2040.59
    tetrachloroethylene 1839.37
    eugenol 639.59
    triacetin 1492.35
    span 80 846.61
    1,4-butanediol 40.27
    1,1-dichloroethane 2363.7
    2-methyl-1-pentanol 691.06
    methyl formate 91.37
    2-methyl-1-butanol 704.29
    n-decane 983.26
    butyronitrile 858.44
    3,7-dimethyl-1-octanol 1256.1
    1-chlorooctane 1965.7
    1-chlorotetradecane 709.37
    n-nonane 1169.97
    undecane 589.1
    tert-butylcyclohexane 1394.74
    cyclooctane 2657.17
    cyclopentanol 1085.97
    tetrahydropyran 6167.67
    tert-amyl methyl ether 2820.93
    2,5,8-trioxanonane 1529.78
    1-hexene 2647.14
    2-isopropoxyethanol 492.24
    2,2,2-trifluoroethanol 40.74
    methyl butyrate 2381.47

    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