Isoeicosane

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  • Identifiers

    CAS number
    52845-07-5

    Molecular formula
    C20H42

    SMILES
    CCCCCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 82.86%
    Fatty 36.3%
    Oily 32.75%
    Odorless 22.58%
    Fishy 19.67%
    Sweet 17.24%
    Meaty 17.06%
    Gassy 15.86%
    Savory 15.12%
    Burnt 14.7%

     

    Flavor
    Alkane 58.1%
    Waxy 45.17%
    Bland 26.21%
    Mild 24.37%
    Delicate 22.41%
    Slightly waxy 21.86%
    Incense 20.2%
    Citrus peel 20.09%
    Grapefruit peel 19.78%
    Diterpene 19.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.8

    pKa est.
    8.63 (weak base)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 156.07 ˚C est.

  • Synonyms

    • Isoeicosane
    • 52845-07-5
    • AR294KAG3T
    • ORISTAR IES
    • CREASIL IE
    • FANCOL IE
    • CREASIL IE CG
    • LIQUID ISOPARAFFIN
    • RefChem:791854
    • ISOEICOSANE [INCI]
    • DTXSID5074054
    • 2-Methylnonadecane
    • 1560-86-7
    • Nonadecane, 2-methyl-
    • UNII-AR294KAG3T
    • 2-methyl-nonadecane
    • SCHEMBL102387
    • SCHEMBL453230
    • SCHEMBL1443613
    • SCHEMBL1627954
    • SCHEMBL1648838
    • SCHEMBL5033011
    • SCHEMBL5984388
    • SCHEMBL7615090
    • SCHEMBL9206806
    • SCHEMBL9784627
    • SCHEMBL17891952
    • SCHEMBL28640349
    • DTXSID501010027
    • LMFA11000348
    • NS00002354
    • Q27274074
    • 1560-86-7

  • Applications

    Isoeicosane (CAS 52845-07-5) is a branched C20 alkane used as a wax-like component in various industrial and consumer formulations: in cosmetics and personal care as an emollient, texture enhancer, and as a waxy occlusive ingredient; in perfumery as a fragrance carrier or solvent for oil-based formulations; in polymers and plastics as a processing aid providing slip and lubrication; in coatings and inks as a wax-like additive to improve slip, gloss, and anti-blocking; and in household products such as waxes and polishes to impart desirable surface feel and texture.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.68
    methanol 21.62
    isopropanol 134.95
    water 0.0
    ethyl acetate 1264.33
    n-propanol 139.74
    acetone 535.15
    n-butanol 267.97
    acetonitrile 95.06
    DMF 329.26
    toluene 956.17
    isobutanol 199.85
    1,4-dioxane 1318.12
    methyl acetate 471.79
    THF 3668.42
    2-butanone 841.19
    n-pentanol 203.21
    sec-butanol 264.5
    n-hexane 1245.31
    ethylene glycol 2.45
    NMP 1020.55
    cyclohexane 4321.08
    DMSO 406.25
    n-butyl acetate 3097.86
    n-octanol 388.87
    chloroform 1939.14
    n-propyl acetate 1356.19
    acetic acid 73.81
    dichloromethane 1777.28
    cyclohexanone 2780.29
    propylene glycol 12.45
    isopropyl acetate 1601.59
    DMAc 715.34
    2-ethoxyethanol 202.92
    isopentanol 451.66
    n-heptane 3340.77
    ethyl formate 254.64
    1,2-dichloroethane 1544.17
    n-hexanol 505.05
    2-methoxyethanol 192.15
    isobutyl acetate 1255.9
    tetrachloromethane 848.03
    n-pentyl acetate 1782.17
    transcutol 1812.8
    n-heptanol 385.14
    ethylbenzene 677.37
    MIBK 1464.17
    2-propoxyethanol 534.54
    tert-butanol 474.63
    MTBE 1827.77
    2-butoxyethanol 489.93
    propionic acid 129.5
    o-xylene 811.54
    formic acid 3.83
    diethyl ether 1686.98
    m-xylene 768.32
    p-xylene 959.87
    chlorobenzene 874.99
    dimethyl carbonate 171.61
    n-octane 740.16
    formamide 9.38
    cyclopentanone 2146.81
    2-pentanone 1386.39
    anisole 876.61
    cyclopentyl methyl ether 3213.02
    gamma-butyrolactone 1441.11
    1-methoxy-2-propanol 319.22
    pyridine 989.86
    3-pentanone 1245.22
    furfural 702.68
    n-dodecane 234.55
    diethylene glycol 92.07
    diisopropyl ether 1501.48
    tert-amyl alcohol 600.95
    acetylacetone 1256.61
    n-hexadecane 300.79
    acetophenone 826.33
    methyl propionate 666.91
    isopentyl acetate 3147.98
    trichloroethylene 2028.05
    n-nonanol 453.2
    cyclohexanol 922.52
    benzyl alcohol 238.26
    2-ethylhexanol 1151.32
    isooctanol 527.55
    dipropyl ether 5175.09
    1,2-dichlorobenzene 1001.42
    ethyl lactate 258.26
    propylene carbonate 987.75
    n-methylformamide 61.94
    2-pentanol 424.61
    n-pentane 756.91
    1-propoxy-2-propanol 1091.69
    1-methoxy-2-propyl acetate 1854.27
    2-(2-methoxypropoxy) propanol 589.59
    mesitylene 773.97
    ε-caprolactone 1929.74
    p-cymene 1095.33
    epichlorohydrin 1651.64
    1,1,1-trichloroethane 2635.06
    2-aminoethanol 14.15
    morpholine-4-carbaldehyde 790.16
    sulfolane 1999.02
    2,2,4-trimethylpentane 507.35
    2-methyltetrahydrofuran 3334.37
    n-hexyl acetate 1623.82
    isooctane 444.79
    2-(2-butoxyethoxy)ethanol 696.72
    sec-butyl acetate 1543.56
    tert-butyl acetate 2492.14
    decalin 1077.25
    glycerin 18.88
    diglyme 1963.2
    acrylic acid 61.02
    isopropyl myristate 1066.01
    n-butyric acid 517.32
    acetyl acetate 736.47
    di(2-ethylhexyl) phthalate 358.68
    ethyl propionate 1385.15
    nitromethane 180.61
    1,2-diethoxyethane 2733.36
    benzonitrile 407.66
    trioctyl phosphate 368.52
    1-bromopropane 1930.67
    gamma-valerolactone 1624.15
    n-decanol 329.03
    triethyl phosphate 1186.56
    4-methyl-2-pentanol 424.3
    propionitrile 235.4
    vinylene carbonate 495.16
    1,1,2-trichlorotrifluoroethane 606.63
    DMS 647.62
    cumene 569.92
    2-octanol 421.58
    2-hexanone 1275.66
    octyl acetate 914.26
    limonene 2432.68
    1,2-dimethoxyethane 1249.43
    ethyl orthosilicate 1395.91
    tributyl phosphate 522.22
    diacetone alcohol 1070.23
    N,N-dimethylaniline 761.95
    acrylonitrile 140.18
    aniline 440.79
    1,3-propanediol 56.2
    bromobenzene 1341.56
    dibromomethane 1565.47
    1,1,2,2-tetrachloroethane 2336.33
    2-methyl-cyclohexyl acetate 1973.1
    tetrabutyl urea 765.63
    diisobutyl methanol 1322.65
    2-phenylethanol 386.93
    styrene 697.65
    dioctyl adipate 1077.72
    dimethyl sulfate 329.63
    ethyl butyrate 3374.2
    methyl lactate 137.4
    butyl lactate 657.27
    diethyl carbonate 1576.23
    propanediol butyl ether 228.51
    triethyl orthoformate 2825.12
    p-tert-butyltoluene 1137.14
    methyl 4-tert-butylbenzoate 1016.07
    morpholine 1354.96
    tert-butylamine 572.05
    n-dodecanol 279.29
    dimethoxymethane 533.17
    ethylene carbonate 625.25
    cyrene 420.92
    2-ethoxyethyl acetate 1297.52
    2-ethylhexyl acetate 3034.98
    1,2,4-trichlorobenzene 1062.05
    4-methylpyridine 1084.84
    dibutyl ether 3138.68
    2,6-dimethyl-4-heptanol 1322.65
    DEF 1370.99
    dimethyl isosorbide 1562.6
    tetrachloroethylene 1331.59
    eugenol 468.69
    triacetin 1172.21
    span 80 582.4
    1,4-butanediol 21.88
    1,1-dichloroethane 1536.98
    2-methyl-1-pentanol 371.84
    methyl formate 60.01
    2-methyl-1-butanol 364.82
    n-decane 582.09
    butyronitrile 442.37
    3,7-dimethyl-1-octanol 765.69
    1-chlorooctane 1235.81
    1-chlorotetradecane 446.31
    n-nonane 675.5
    undecane 341.81
    tert-butylcyclohexane 857.4
    cyclooctane 1628.34
    cyclopentanol 645.55
    tetrahydropyran 3553.19
    tert-amyl methyl ether 1715.76
    2,5,8-trioxanonane 1114.48
    1-hexene 1256.98
    2-isopropoxyethanol 293.41
    2,2,2-trifluoroethanol 31.04
    methyl butyrate 1598.54

    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