Methyl 9-hexadecenoate

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  • Identifiers

    CAS number
    3913-63-1

    Molecular formula
    C17H32O2

    SMILES
    CCCCCCC=CCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 80.05%
    Oily 66.18%
    Waxy 65.93%
    Fruity 45.46%
    Sweet 35.36%
    Creamy 31.56%
    Dairy 31.41%
    Buttery 25.46%
    Winey 24.95%
    Milky 24.43%

     

    Flavor
    Waxy 43.99%
    Fatty 31.78%
    Oily 29.04%
    Faint 27.84%
    Mild 22.6%
    Slightly waxy 22.49%
    Delicate 21.28%
    Soapy 21.06%
    Bay oil 20.78%
    Beer 20.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.37 (neutral)

    Molecular weight
    268.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point

    • 145.66 ˚C est.

  • Synonyms

    • methyl 9-hexadecenoate
    • 3913-63-1
    • DTXSID201347762
    • RefChem:1089529
    • DTXCID801333074
    • methyl hexadec-9-enoate
    • 9-hexadecenoic acid, methyl ester, (9Z)-
    • SCHEMBL161459
    • AKOS025243510
    • 3913-63-1

  • Applications

    Commonly evaluated as a fatty acid methyl ester, methyl 9-hexadecenoate can act as an emollient and fragrance solvent in cosmetics and perfumery, and as a carrier for active ingredients in skin and hair care formulations. It is also used as a plasticizer or processing aid in polymers and coatings, improving flexibility and processability. In industrial manufacturing and cleaning formulations, it may function as a non-polar solvent or formulation component, and it is sometimes encountered as a renewable feedstock or co-solvent in biodiesel blends. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 490.27
    methanol 359.94
    isopropanol 584.82
    water 0.01
    ethyl acetate 1449.93
    n-propanol 542.42
    acetone 1200.18
    n-butanol 613.71
    acetonitrile 412.61
    DMF 938.81
    toluene 531.73
    isobutanol 482.74
    1,4-dioxane 1504.75
    methyl acetate 721.74
    THF 2600.9
    2-butanone 1261.64
    n-pentanol 480.41
    sec-butanol 655.99
    n-hexane 229.37
    ethylene glycol 15.12
    NMP 1062.25
    cyclohexane 674.89
    DMSO 1278.91
    n-butyl acetate 1164.27
    n-octanol 222.49
    chloroform 2284.16
    n-propyl acetate 1300.76
    acetic acid 284.0
    dichloromethane 2460.32
    cyclohexanone 2419.17
    propylene glycol 64.44
    isopropyl acetate 1117.25
    DMAc 1154.17
    2-ethoxyethanol 694.62
    isopentanol 702.34
    n-heptane 127.37
    ethyl formate 431.15
    1,2-dichloroethane 1963.58
    n-hexanol 411.68
    2-methoxyethanol 755.64
    isobutyl acetate 744.73
    tetrachloromethane 450.74
    n-pentyl acetate 924.09
    transcutol 3067.89
    n-heptanol 219.03
    ethylbenzene 350.37
    MIBK 996.04
    2-propoxyethanol 705.08
    tert-butanol 957.09
    MTBE 1577.9
    2-butoxyethanol 503.29
    propionic acid 301.24
    o-xylene 373.64
    formic acid 36.78
    diethyl ether 1694.36
    m-xylene 382.16
    p-xylene 435.5
    chlorobenzene 684.27
    dimethyl carbonate 168.07
    n-octane 45.42
    formamide 87.24
    cyclopentanone 1873.65
    2-pentanone 1494.84
    anisole 634.7
    cyclopentyl methyl ether 1627.27
    gamma-butyrolactone 1367.15
    1-methoxy-2-propanol 801.85
    pyridine 1237.0
    3-pentanone 943.27
    furfural 958.86
    n-dodecane 23.94
    diethylene glycol 225.46
    diisopropyl ether 501.92
    tert-amyl alcohol 884.23
    acetylacetone 1203.78
    n-hexadecane 29.88
    acetophenone 617.37
    methyl propionate 755.47
    isopentyl acetate 1049.61
    trichloroethylene 2674.46
    n-nonanol 216.27
    cyclohexanol 914.8
    benzyl alcohol 386.48
    2-ethylhexanol 379.18
    isooctanol 242.66
    dipropyl ether 907.47
    1,2-dichlorobenzene 706.1
    ethyl lactate 283.62
    propylene carbonate 724.9
    n-methylformamide 281.88
    2-pentanol 602.41
    n-pentane 144.02
    1-propoxy-2-propanol 701.06
    1-methoxy-2-propyl acetate 911.15
    2-(2-methoxypropoxy) propanol 482.71
    mesitylene 273.71
    ε-caprolactone 1706.69
    p-cymene 202.35
    epichlorohydrin 2039.71
    1,1,1-trichloroethane 1769.69
    2-aminoethanol 86.99
    morpholine-4-carbaldehyde 1085.46
    sulfolane 1699.82
    2,2,4-trimethylpentane 86.71
    2-methyltetrahydrofuran 2389.87
    n-hexyl acetate 915.87
    isooctane 63.62
    2-(2-butoxyethoxy)ethanol 730.58
    sec-butyl acetate 943.48
    tert-butyl acetate 1269.29
    decalin 182.25
    glycerin 84.8
    diglyme 1589.3
    acrylic acid 158.97
    isopropyl myristate 300.22
    n-butyric acid 893.45
    acetyl acetate 590.41
    di(2-ethylhexyl) phthalate 207.8
    ethyl propionate 1045.31
    nitromethane 697.7
    1,2-diethoxyethane 1453.05
    benzonitrile 534.86
    trioctyl phosphate 155.76
    1-bromopropane 1434.38
    gamma-valerolactone 2099.11
    n-decanol 140.12
    triethyl phosphate 326.6
    4-methyl-2-pentanol 345.75
    propionitrile 535.85
    vinylene carbonate 529.19
    1,1,2-trichlorotrifluoroethane 987.29
    DMS 446.28
    cumene 229.05
    2-octanol 207.75
    2-hexanone 1141.91
    octyl acetate 348.06
    limonene 426.26
    1,2-dimethoxyethane 1697.39
    ethyl orthosilicate 345.55
    tributyl phosphate 224.99
    diacetone alcohol 932.76
    N,N-dimethylaniline 420.36
    acrylonitrile 428.17
    aniline 468.87
    1,3-propanediol 230.82
    bromobenzene 854.92
    dibromomethane 1801.97
    1,1,2,2-tetrachloroethane 2561.65
    2-methyl-cyclohexyl acetate 651.34
    tetrabutyl urea 325.17
    diisobutyl methanol 267.33
    2-phenylethanol 352.68
    styrene 441.91
    dioctyl adipate 449.56
    dimethyl sulfate 310.89
    ethyl butyrate 965.83
    methyl lactate 200.65
    butyl lactate 469.75
    diethyl carbonate 462.1
    propanediol butyl ether 380.21
    triethyl orthoformate 619.81
    p-tert-butyltoluene 195.29
    methyl 4-tert-butylbenzoate 508.94
    morpholine 2232.88
    tert-butylamine 637.12
    n-dodecanol 102.73
    dimethoxymethane 822.48
    ethylene carbonate 531.9
    cyrene 413.17
    2-ethoxyethyl acetate 979.22
    2-ethylhexyl acetate 836.66
    1,2,4-trichlorobenzene 792.87
    4-methylpyridine 1240.07
    dibutyl ether 825.63
    2,6-dimethyl-4-heptanol 267.33
    DEF 1418.97
    dimethyl isosorbide 955.02
    tetrachloroethylene 1514.68
    eugenol 415.45
    triacetin 736.04
    span 80 479.56
    1,4-butanediol 89.36
    1,1-dichloroethane 1795.82
    2-methyl-1-pentanol 521.43
    methyl formate 170.73
    2-methyl-1-butanol 619.61
    n-decane 55.13
    butyronitrile 812.85
    3,7-dimethyl-1-octanol 292.61
    1-chlorooctane 288.2
    1-chlorotetradecane 84.6
    n-nonane 58.87
    undecane 33.73
    tert-butylcyclohexane 131.79
    cyclooctane 140.94
    cyclopentanol 725.57
    tetrahydropyran 2883.73
    tert-amyl methyl ether 1111.17
    2,5,8-trioxanonane 893.8
    1-hexene 647.99
    2-isopropoxyethanol 621.11
    2,2,2-trifluoroethanol 79.19
    methyl butyrate 1412.62

    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