Methyl 2-methylhexadecanoate

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  • Identifiers

    CAS number
    2490-53-1

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCCCCCCCC(C)C(=O)OC

  • Odor profile

    Waxy 73.65%
    Fatty 71.52%
    Oily 60.17%
    Creamy 32.02%
    Fruity 29.47%
    Sweet 28.23%
    Dairy 27.24%
    Odorless 25.87%
    Milky 25.6%
    Soapy 22.38%

    Scent© AI

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    7.58 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point est.
    144.71 ˚C

  • Synonyms

    • Methyl 2-methylhexadecanoate
    • 2490-53-1
    • Hexadecanoic acid, 2-methyl-, methyl ester
    • Methyl 2-methylpalmitate
    • DTXSID30947792
    • methyl 2-methylhexadeca-noate
    • SCHEMBL5483760
    • Methyl 2-methylhexadecanoic acid
    • DTXCID401376044
    • DL-?-Methylpalmitic acid methyl ester
    • DL-alpha-Methylpalmitic acid methyl ester
    • FM172283

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 502.82
    methanol 401.13
    isopropanol 821.43
    water 0.04
    ethyl acetate 3492.31
    n-propanol 761.54
    acetone 2066.3
    n-butanol 941.88
    acetonitrile 975.43
    DMF 2078.21
    toluene 1150.86
    isobutanol 807.24
    1,4-dioxane 2667.55
    methyl acetate 1842.69
    THF 4259.92
    2-butanone 2581.08
    n-pentanol 631.12
    sec-butanol 988.48
    n-hexane 395.88
    ethylene glycol 18.66
    NMP 2798.86
    cyclohexane 1502.01
    DMSO 1522.05
    n-butyl acetate 2990.82
    n-octanol 534.85
    chloroform 5561.46
    n-propyl acetate 3238.76
    acetic acid 591.32
    dichloromethane 5877.18
    cyclohexanone 5867.08
    propylene glycol 74.18
    isopropyl acetate 2811.5
    DMAc 2511.51
    2-ethoxyethanol 1083.18
    isopentanol 1155.38
    n-heptane 314.97
    ethyl formate 1296.52
    1,2-dichloroethane 4446.89
    n-hexanol 605.22
    2-methoxyethanol 1184.2
    isobutyl acetate 1828.29
    tetrachloromethane 1529.91
    n-pentyl acetate 2891.74
    transcutol 4073.32
    n-heptanol 519.5
    ethylbenzene 744.71
    MIBK 2268.78
    2-propoxyethanol 1096.33
    tert-butanol 1426.68
    MTBE 2754.15
    2-butoxyethanol 1138.85
    propionic acid 757.34
    o-xylene 890.55
    formic acid 71.62
    diethyl ether 2641.31
    m-xylene 842.06
    p-xylene 1119.84
    chlorobenzene 1819.26
    dimethyl carbonate 433.15
    n-octane 133.2
    formamide 202.77
    cyclopentanone 4527.42
    2-pentanone 2957.13
    anisole 1359.8
    cyclopentyl methyl ether 3217.82
    gamma-butyrolactone 3810.47
    1-methoxy-2-propanol 1285.73
    pyridine 2799.63
    3-pentanone 2200.51
    furfural 2509.61
    n-dodecane 58.29
    diethylene glycol 309.27
    diisopropyl ether 1115.72
    tert-amyl alcohol 1438.42
    acetylacetone 2693.78
    n-hexadecane 75.23
    acetophenone 1438.67
    methyl propionate 1892.43
    isopentyl acetate 2717.12
    trichloroethylene 6611.76
    n-nonanol 512.68
    cyclohexanol 1846.87
    benzyl alcohol 711.9
    2-ethylhexanol 734.2
    isooctanol 598.94
    dipropyl ether 1854.9
    1,2-dichlorobenzene 1969.26
    ethyl lactate 617.84
    propylene carbonate 2192.16
    n-methylformamide 791.88
    2-pentanol 956.09
    n-pentane 266.96
    1-propoxy-2-propanol 1315.48
    1-methoxy-2-propyl acetate 2025.84
    2-(2-methoxypropoxy) propanol 776.53
    mesitylene 638.24
    ε-caprolactone 4633.17
    p-cymene 543.05
    epichlorohydrin 4346.11
    1,1,1-trichloroethane 5087.58
    2-aminoethanol 115.46
    morpholine-4-carbaldehyde 2566.37
    sulfolane 4053.63
    2,2,4-trimethylpentane 204.4
    2-methyltetrahydrofuran 4418.51
    n-hexyl acetate 2474.29
    isooctane 140.59
    2-(2-butoxyethoxy)ethanol 1199.42
    sec-butyl acetate 2370.99
    tert-butyl acetate 3124.71
    decalin 395.26
    glycerin 106.18
    diglyme 3111.89
    acrylic acid 415.47
    isopropyl myristate 732.39
    n-butyric acid 2204.7
    acetyl acetate 1661.14
    di(2-ethylhexyl) phthalate 429.18
    ethyl propionate 2643.8
    nitromethane 1774.53
    1,2-diethoxyethane 2720.57
    benzonitrile 1323.9
    trioctyl phosphate 359.31
    1-bromopropane 2947.72
    gamma-valerolactone 5275.0
    n-decanol 311.72
    triethyl phosphate 824.36
    4-methyl-2-pentanol 655.4
    propionitrile 1302.61
    vinylene carbonate 1621.58
    1,1,2-trichlorotrifluoroethane 2121.6
    DMS 1144.06
    cumene 492.67
    2-octanol 563.05
    2-hexanone 2276.65
    octyl acetate 846.23
    limonene 1106.82
    1,2-dimethoxyethane 3207.73
    ethyl orthosilicate 847.2
    tributyl phosphate 513.77
    diacetone alcohol 1888.59
    N,N-dimethylaniline 877.45
    acrylonitrile 1160.2
    aniline 1009.97
    1,3-propanediol 347.21
    bromobenzene 2306.58
    dibromomethane 3953.02
    1,1,2,2-tetrachloroethane 5960.06
    2-methyl-cyclohexyl acetate 1486.95
    tetrabutyl urea 720.47
    diisobutyl methanol 573.37
    2-phenylethanol 642.83
    styrene 919.85
    dioctyl adipate 990.33
    dimethyl sulfate 814.52
    ethyl butyrate 2672.91
    methyl lactate 440.73
    butyl lactate 1250.21
    diethyl carbonate 1217.78
    propanediol butyl ether 700.72
    triethyl orthoformate 1653.21
    p-tert-butyltoluene 500.86
    methyl 4-tert-butylbenzoate 1239.49
    morpholine 3694.9
    tert-butylamine 1010.38
    n-dodecanol 215.46
    dimethoxymethane 1421.04
    ethylene carbonate 1780.98
    cyrene 759.47
    2-ethoxyethyl acetate 2507.31
    2-ethylhexyl acetate 2331.22
    1,2,4-trichlorobenzene 2148.79
    4-methylpyridine 2834.02
    dibutyl ether 1861.6
    2,6-dimethyl-4-heptanol 573.37
    DEF 3441.52
    dimethyl isosorbide 1802.19
    tetrachloroethylene 3937.78
    eugenol 891.28
    triacetin 1689.21
    span 80 812.49
    1,4-butanediol 139.92
    1,1-dichloroethane 4254.04
    2-methyl-1-pentanol 786.04
    methyl formate 520.46
    2-methyl-1-butanol 1022.12
    n-decane 154.91
    butyronitrile 1817.64
    3,7-dimethyl-1-octanol 639.44
    1-chlorooctane 786.58
    1-chlorotetradecane 207.16
    n-nonane 169.91
    undecane 85.83
    tert-butylcyclohexane 303.82
    cyclooctane 343.54
    cyclopentanol 1536.38
    tetrahydropyran 4837.81
    tert-amyl methyl ether 2119.65
    2,5,8-trioxanonane 1435.66
    1-hexene 1011.01
    2-isopropoxyethanol 1008.19
    2,2,2-trifluoroethanol 248.72
    methyl butyrate 3675.58

    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

Botanical

Name CAS Botanical Proportion
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.1%