Methyl henicosaneate

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  • Identifiers

    CAS number
    6064-90-0

    Molecular formula
    C22H44O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.57%
    Fatty 68.66%
    Oily 54.84%
    Odorless 29.92%
    Sweet 28.24%
    Creamy 27.29%
    Dairy 21.44%
    Clean 18.0%
    Soapy 17.55%
    Milky 17.34%

     

    Flavor
    Waxy 66.01%
    Fatty 43.7%
    Mild 40.38%
    Oily 38.62%
    Alkane 34.02%
    Fat 31.98%
    Bland 31.12%
    Coconut 29.32%
    Soapy 29.07%
    Faint 28.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.6

    pKa est.
    7.91 (neutral)

    Molecular weight
    340.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 177.52 ˚C est.

  • Synonyms

    • METHYL HENEICOSANOATE
    • Methyl henicosanoate
    • Methyl henicosaneate
    • Heneicosanoic acid, methyl ester
    • MN4YZ4KTG7
    • EINECS 227-994-0
    • METHYL N-HENEICOSANOATE
    • CHEBI:144356
    • DTXSID70209447
    • N-HENEICOSANOIC ACID METHYL ESTER
    • Methyl henicosaneic acid
    • Methyl henicosanoic acid
    • Methyl heneicosanoic acid
    • RefChem:157888
    • Henicosanoate methyl ester
    • Heneicosanoate methyl ester
    • DTXCID90131938
    • 227-994-0
    • AJRICDSAJQHDSD-UHFFFAOYSA-N
    • 6064-90-0
    • MethylHeneicosanoate
    • Heneicosanoic acid methyl ester
    • MFCD00009345
    • Heneicosanoic acid,methyl ester
    • henicosanoic acid methyl ester
    • Heneicosanoic acid-methyl ester
    • UNII-MN4YZ4KTG7
    • Heneicosanoic acid methylester
    • orb1679977
    • SCHEMBL2259206
    • SCHEMBL2259208
    • MSK1820
    • Heneicosanoic acid-methyl ester 10 microg/mL in Acetonitrile
    • AKOS015902951
    • AS-87554
    • Methyl heneicosanoate, analytical standard
    • SY465188
    • DB-053680
    • HY-134126
    • CS-0138228
    • NS00034420
    • G85941
    • Q63391640
    • Methyl heneicosanoate, ~99% (capillary GC), crystalline
    • DD756147-0A3C-49EA-824F-44C57ADEE745
    • 6064-90-0

  • Applications

    Methyl henicosaneate (CAS 6064-90-0) is a long-chain fatty acid methyl ester used as a waxy emollient and processing aid. In cosmetics and personal care, it provides slip and conditioning in creams, lotions and lip products. In perfumery, it acts as a carrier and can help extend fragrance release. In coatings, inks and plastics processing, it serves as a lubricating processing aid and a plasticizer, reducing friction during extrusion or calendaring. It also appears in household products and polishes as a waxy component that contributes gloss and water resistance. In industrial manufacturing, it can function as a formulation component or carrier for specialty additives, with usage governed by regulation and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.01
    methanol 9.62
    isopropanol 11.37
    water 0.02
    ethyl acetate 159.89
    n-propanol 14.09
    acetone 68.79
    n-butanol 19.47
    acetonitrile 28.96
    DMF 141.35
    toluene 60.87
    isobutanol 19.12
    1,4-dioxane 170.5
    methyl acetate 86.6
    THF 461.97
    2-butanone 119.22
    n-pentanol 20.59
    sec-butanol 23.82
    n-hexane 17.16
    ethylene glycol 1.01
    NMP 518.78
    cyclohexane 113.9
    DMSO 170.59
    n-butyl acetate 210.99
    n-octanol 47.12
    chloroform 586.76
    n-propyl acetate 235.53
    acetic acid 34.55
    dichloromethane 609.8
    cyclohexanone 541.06
    propylene glycol 3.49
    isopropyl acetate 185.82
    DMAc 316.79
    2-ethoxyethanol 60.4
    isopentanol 37.11
    n-heptane 24.15
    ethyl formate 60.58
    1,2-dichloroethane 362.59
    n-hexanol 23.75
    2-methoxyethanol 50.35
    isobutyl acetate 157.39
    tetrachloromethane 154.45
    n-pentyl acetate 379.4
    transcutol 521.57
    n-heptanol 37.62
    ethylbenzene 58.88
    MIBK 176.49
    2-propoxyethanol 66.57
    tert-butanol 42.65
    MTBE 117.1
    2-butoxyethanol 115.86
    propionic acid 39.0
    o-xylene 71.21
    formic acid 5.85
    diethyl ether 74.23
    m-xylene 57.53
    p-xylene 94.54
    chlorobenzene 150.67
    dimethyl carbonate 38.29
    n-octane 13.12
    formamide 15.09
    cyclopentanone 479.98
    2-pentanone 149.79
    anisole 140.12
    cyclopentyl methyl ether 277.75
    gamma-butyrolactone 441.03
    1-methoxy-2-propanol 68.74
    pyridine 198.03
    3-pentanone 139.91
    furfural 317.25
    n-dodecane 6.58
    diethylene glycol 20.93
    diisopropyl ether 59.14
    tert-amyl alcohol 63.44
    acetylacetone 239.12
    n-hexadecane 8.55
    acetophenone 201.7
    methyl propionate 106.35
    isopentyl acetate 230.02
    trichloroethylene 676.01
    n-nonanol 51.85
    cyclohexanol 91.79
    benzyl alcohol 59.82
    2-ethylhexanol 47.51
    isooctanol 48.88
    dipropyl ether 144.99
    1,2-dichlorobenzene 236.29
    ethyl lactate 69.75
    propylene carbonate 269.4
    n-methylformamide 38.29
    2-pentanol 24.1
    n-pentane 9.62
    1-propoxy-2-propanol 101.28
    1-methoxy-2-propyl acetate 208.27
    2-(2-methoxypropoxy) propanol 135.2
    mesitylene 56.79
    ε-caprolactone 465.22
    p-cymene 61.47
    epichlorohydrin 469.34
    1,1,1-trichloroethane 500.68
    2-aminoethanol 4.67
    morpholine-4-carbaldehyde 320.75
    sulfolane 845.77
    2,2,4-trimethylpentane 16.37
    2-methyltetrahydrofuran 353.26
    n-hexyl acetate 305.37
    isooctane 9.51
    2-(2-butoxyethoxy)ethanol 169.95
    sec-butyl acetate 202.6
    tert-butyl acetate 307.08
    decalin 39.96
    glycerin 8.36
    diglyme 493.03
    acrylic acid 28.19
    isopropyl myristate 101.91
    n-butyric acid 106.85
    acetyl acetate 131.65
    di(2-ethylhexyl) phthalate 69.52
    ethyl propionate 206.81
    nitromethane 118.8
    1,2-diethoxyethane 271.17
    benzonitrile 100.04
    trioctyl phosphate 52.34
    1-bromopropane 181.11
    gamma-valerolactone 627.4
    n-decanol 31.56
    triethyl phosphate 152.12
    4-methyl-2-pentanol 27.71
    propionitrile 39.53
    vinylene carbonate 191.82
    1,1,2-trichlorotrifluoroethane 291.65
    DMS 145.48
    cumene 49.41
    2-octanol 45.5
    2-hexanone 179.12
    octyl acetate 114.11
    limonene 123.06
    1,2-dimethoxyethane 281.66
    ethyl orthosilicate 152.08
    tributyl phosphate 78.29
    diacetone alcohol 190.91
    N,N-dimethylaniline 108.66
    acrylonitrile 42.33
    aniline 57.18
    1,3-propanediol 12.05
    bromobenzene 204.06
    dibromomethane 359.12
    1,1,2,2-tetrachloroethane 735.35
    2-methyl-cyclohexyl acetate 234.79
    tetrabutyl urea 132.53
    diisobutyl methanol 52.42
    2-phenylethanol 57.44
    styrene 68.6
    dioctyl adipate 179.23
    dimethyl sulfate 120.12
    ethyl butyrate 274.9
    methyl lactate 41.61
    butyl lactate 170.74
    diethyl carbonate 146.82
    propanediol butyl ether 80.39
    triethyl orthoformate 239.31
    p-tert-butyltoluene 59.26
    methyl 4-tert-butylbenzoate 249.05
    morpholine 205.97
    tert-butylamine 33.5
    n-dodecanol 22.34
    dimethoxymethane 94.45
    ethylene carbonate 177.98
    cyrene 161.65
    2-ethoxyethyl acetate 326.43
    2-ethylhexyl acetate 216.51
    1,2,4-trichlorobenzene 278.82
    4-methylpyridine 198.55
    dibutyl ether 196.59
    2,6-dimethyl-4-heptanol 52.42
    DEF 243.23
    dimethyl isosorbide 400.71
    tetrachloroethylene 425.96
    eugenol 162.39
    triacetin 338.93
    span 80 130.03
    1,4-butanediol 6.35
    1,1-dichloroethane 273.5
    2-methyl-1-pentanol 38.1
    methyl formate 30.67
    2-methyl-1-butanol 32.93
    n-decane 17.39
    butyronitrile 54.82
    3,7-dimethyl-1-octanol 61.78
    1-chlorooctane 89.74
    1-chlorotetradecane 24.81
    n-nonane 17.18
    undecane 9.78
    tert-butylcyclohexane 27.78
    cyclooctane 27.9
    cyclopentanol 83.29
    tetrahydropyran 269.07
    tert-amyl methyl ether 133.98
    2,5,8-trioxanonane 265.85
    1-hexene 38.15
    2-isopropoxyethanol 66.8
    2,2,2-trifluoroethanol 25.14
    methyl butyrate 301.05

    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