Methyl (E)-14-methylhexadec-8-enoate

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  • Identifiers

    CAS number
    56941-91-4

    Molecular formula
    C18H34O2

    SMILES
    CCC(C)CCCC/C=C/CCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 74.01%
    Waxy 66.75%
    Oily 61.45%
    Fruity 34.23%
    Sweet 33.15%
    Creamy 27.61%
    Floral 25.82%
    Dairy 25.07%
    Milky 24.07%
    Buttery 22.25%

     

    Flavor
    Waxy 36.89%
    Faint 27.76%
    Oily 26.84%
    Fatty 25.48%
    Slightly waxy 22.0%
    Delicate 21.78%
    Bland 21.22%
    Mild 21.1%
    Low 20.22%
    Bay oil 20.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    7.84 (neutral)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    329°C

    Flash point

    • 149.23 ˚C est.

  • Synonyms

    • Methyl (E)-14-methylhexadec-8-enoate
    • 56941-91-4
    • formyl 14-methyl-8E-hexadecenoate
    • Methyl (Z)-14-methylhexadec-8-enoate
    • WE(1:0/16:1(8E)(14Me))
    • EINECS 250-297-8
    • 30689-77-1
    • EINECS 260-456-3
    • METHYL (8E)-14-METHYLHEXADEC-8-ENOATE
    • SCHEMBL10414866
    • CHEBI:196175
    • KXKSZSXMFYJWFU-FNORWQNLSA-N
    • DTXSID501225076
    • Methyl 14-methyl-8E-hexadecenoate
    • LMFA07010498
    • methyl (e)-14-methyl-8-hexadecenoate
    • DB-220866
    • NS00087821
    • 8-Hexadecenoic acid, 14-methyl-, methyl ester, (E)-
    • 56941-91-4

  • Applications

    Applications include use as an intermediate in fragrance chemistry, where it may function as a fragrance ingredient or fixative in perfumery. In cosmetics and personal care, it may serve as a fragrance carrier component or part of fragrance blends; in household products, it can act as a scent additive in detergents, cleaners, and air fresheners. In industrial manufacturing, it is evaluated as an intermediate for the synthesis of specialty esters used in coatings, inks, and polymer formulations, and in polymer formulation development it may act as a processing aid or non-polar additive. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 534.48
    methanol 293.75
    isopropanol 607.72
    water 0.01
    ethyl acetate 1553.34
    n-propanol 563.74
    acetone 984.49
    n-butanol 610.28
    acetonitrile 317.54
    DMF 596.17
    toluene 490.61
    isobutanol 458.28
    1,4-dioxane 1641.44
    methyl acetate 665.89
    THF 2696.06
    2-butanone 1233.6
    n-pentanol 468.25
    sec-butanol 687.18
    n-hexane 142.04
    ethylene glycol 9.18
    NMP 692.29
    cyclohexane 487.15
    DMSO 816.1
    n-butyl acetate 1068.75
    n-octanol 191.46
    chloroform 2074.14
    n-propyl acetate 1216.01
    acetic acid 208.59
    dichloromethane 2150.81
    cyclohexanone 2049.27
    propylene glycol 50.5
    isopropyl acetate 1127.8
    DMAc 905.87
    2-ethoxyethanol 687.8
    isopentanol 683.56
    n-heptane 80.02
    ethyl formate 384.11
    1,2-dichloroethane 1623.85
    n-hexanol 389.39
    2-methoxyethanol 690.77
    isobutyl acetate 682.25
    tetrachloromethane 377.55
    n-pentyl acetate 803.73
    transcutol 3284.88
    n-heptanol 203.11
    ethylbenzene 299.49
    MIBK 914.11
    2-propoxyethanol 701.61
    tert-butanol 922.03
    MTBE 1807.67
    2-butoxyethanol 481.12
    propionic acid 227.91
    o-xylene 323.92
    formic acid 24.68
    diethyl ether 1807.02
    m-xylene 338.18
    p-xylene 366.5
    chlorobenzene 586.95
    dimethyl carbonate 124.68
    n-octane 30.86
    formamide 59.51
    cyclopentanone 1480.06
    2-pentanone 1340.82
    anisole 597.18
    cyclopentyl methyl ether 1494.68
    gamma-butyrolactone 1046.33
    1-methoxy-2-propanol 772.93
    pyridine 1066.33
    3-pentanone 819.11
    furfural 766.91
    n-dodecane 16.87
    diethylene glycol 192.67
    diisopropyl ether 486.74
    tert-amyl alcohol 880.13
    acetylacetone 1110.37
    n-hexadecane 20.92
    acetophenone 542.38
    methyl propionate 673.36
    isopentyl acetate 1026.99
    trichloroethylene 2185.74
    n-nonanol 188.54
    cyclohexanol 786.03
    benzyl alcohol 337.35
    2-ethylhexanol 335.77
    isooctanol 221.91
    dipropyl ether 777.17
    1,2-dichlorobenzene 591.52
    ethyl lactate 234.82
    propylene carbonate 593.45
    n-methylformamide 188.4
    2-pentanol 563.44
    n-pentane 98.82
    1-propoxy-2-propanol 695.89
    1-methoxy-2-propyl acetate 924.56
    2-(2-methoxypropoxy) propanol 482.69
    mesitylene 237.52
    ε-caprolactone 1495.79
    p-cymene 175.9
    epichlorohydrin 1931.53
    1,1,1-trichloroethane 1532.83
    2-aminoethanol 66.6
    morpholine-4-carbaldehyde 902.26
    sulfolane 1213.32
    2,2,4-trimethylpentane 72.62
    2-methyltetrahydrofuran 2424.19
    n-hexyl acetate 811.91
    isooctane 53.32
    2-(2-butoxyethoxy)ethanol 730.49
    sec-butyl acetate 922.3
    tert-butyl acetate 1262.26
    decalin 131.46
    glycerin 61.2
    diglyme 1596.7
    acrylic acid 104.86
    isopropyl myristate 266.82
    n-butyric acid 790.47
    acetyl acetate 556.64
    di(2-ethylhexyl) phthalate 187.51
    ethyl propionate 927.0
    nitromethane 524.13
    1,2-diethoxyethane 1575.52
    benzonitrile 445.06
    trioctyl phosphate 132.72
    1-bromopropane 1257.61
    gamma-valerolactone 1878.67
    n-decanol 123.12
    triethyl phosphate 289.29
    4-methyl-2-pentanol 332.07
    propionitrile 425.48
    vinylene carbonate 422.3
    1,1,2-trichlorotrifluoroethane 752.53
    DMS 375.41
    cumene 198.81
    2-octanol 181.14
    2-hexanone 1054.38
    octyl acetate 301.64
    limonene 364.59
    1,2-dimethoxyethane 1683.32
    ethyl orthosilicate 314.57
    tributyl phosphate 186.4
    diacetone alcohol 898.12
    N,N-dimethylaniline 369.53
    acrylonitrile 307.15
    aniline 416.56
    1,3-propanediol 203.32
    bromobenzene 718.27
    dibromomethane 1551.84
    1,1,2,2-tetrachloroethane 2104.2
    2-methyl-cyclohexyl acetate 612.58
    tetrabutyl urea 263.34
    diisobutyl methanol 240.77
    2-phenylethanol 335.47
    styrene 366.9
    dioctyl adipate 405.55
    dimethyl sulfate 218.45
    ethyl butyrate 905.13
    methyl lactate 152.79
    butyl lactate 400.87
    diethyl carbonate 414.31
    propanediol butyl ether 327.94
    triethyl orthoformate 597.35
    p-tert-butyltoluene 174.65
    methyl 4-tert-butylbenzoate 456.61
    morpholine 2387.72
    tert-butylamine 583.95
    n-dodecanol 87.89
    dimethoxymethane 714.59
    ethylene carbonate 434.9
    cyrene 372.35
    2-ethoxyethyl acetate 977.39
    2-ethylhexyl acetate 791.16
    1,2,4-trichlorobenzene 653.06
    4-methylpyridine 1101.76
    dibutyl ether 687.88
    2,6-dimethyl-4-heptanol 240.77
    DEF 1202.17
    dimethyl isosorbide 937.04
    tetrachloroethylene 1203.61
    eugenol 371.83
    triacetin 652.31
    span 80 434.17
    1,4-butanediol 71.2
    1,1-dichloroethane 1619.48
    2-methyl-1-pentanol 509.17
    methyl formate 112.32
    2-methyl-1-butanol 595.96
    n-decane 40.07
    butyronitrile 721.86
    3,7-dimethyl-1-octanol 272.81
    1-chlorooctane 226.12
    1-chlorotetradecane 65.42
    n-nonane 41.36
    undecane 24.1
    tert-butylcyclohexane 101.12
    cyclooctane 96.96
    cyclopentanol 583.16
    tetrahydropyran 2948.07
    tert-amyl methyl ether 1126.23
    2,5,8-trioxanonane 884.69
    1-hexene 521.76
    2-isopropoxyethanol 614.71
    2,2,2-trifluoroethanol 53.28
    methyl butyrate 1232.18

    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