11-Hexadecenal

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  • Identifiers

    CAS number
    57491-33-5

    Molecular formula
    C16H30O

    SMILES
    CCCC/C=C/CCCCCCCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 71.43%
    Waxy 63.62%
    Citrus 57.93%
    Fruity 41.81%
    Aldehydic 39.6%
    Oily 37.9%
    Orange 37.74%
    Meaty 37.48%
    Fresh 36.34%
    Fruit skin 32.44%

     

    Flavor
    Waxy 46.43%
    Citrus 32.46%
    Fatty 29.83%
    Fresh 26.2%
    Wax 25.7%
    Aldehydic 24.9%
    Incense 22.5%
    Citrus peel 22.41%
    Grapefruit peel 22.2%
    Fat 21.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    6.66 (neutral)

    Molecular weight
    238.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 147.67 ˚C est.

  • Synonyms

    • 11-Hexadecenal
    • RefChem:907982
    • (E)-Hexadec-11-enal
    • 57491-33-5
    • (e)-11-hexadecenal
    • (11E)-11-Hexadecenal
    • (11E)-hexadec-11-enal
    • 11-Hexadecenal, (11E)-
    • E-11-Hexadecenal
    • EINECS 260-765-3
    • AI3-36726
    • 11-Hexadecenal, (E)-
    • SCHEMBL811762
    • (11E)-11-Hexadecenal #
    • SCHEMBL10976595
    • DTXSID601016280
    • LMFA06000092
    • AKOS015901481
    • DB-247247
    • NS00086380
    • 57491-33-5

  • Applications

    11-Hexadecenal, CAS 57491-33-5, is primarily used as an odorant in fragrance and cosmetic formulations, contributing to long-lasting and well-defined aroma profiles. It is also considered a pheromone component for agricultural applications aimed at monitoring or controlling certain insects via pheromone traps. In cosmetics and personal care, as well as in household products, it can serve as a fragrance ingredient. Additionally, as a long-chain aldehyde, it is often used as a building block in the synthesis of more complex fragrance compounds or their derivatives for industrial fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 621.23
    methanol 341.8
    isopropanol 743.82
    water 0.0
    ethyl acetate 1481.83
    n-propanol 674.84
    acetone 1386.28
    n-butanol 825.58
    acetonitrile 363.6
    DMF 713.57
    toluene 522.07
    isobutanol 580.14
    1,4-dioxane 1319.37
    methyl acetate 659.1
    THF 3088.41
    2-butanone 1366.92
    n-pentanol 590.37
    sec-butanol 739.39
    n-hexane 583.99
    ethylene glycol 16.83
    NMP 805.73
    cyclohexane 1154.82
    DMSO 1314.04
    n-butyl acetate 1693.34
    n-octanol 289.43
    chloroform 1866.66
    n-propyl acetate 1421.02
    acetic acid 234.51
    dichloromethane 2014.73
    cyclohexanone 2242.53
    propylene glycol 65.24
    isopropyl acetate 1182.94
    DMAc 713.94
    2-ethoxyethanol 644.56
    isopentanol 877.82
    n-heptane 452.47
    ethyl formate 419.15
    1,2-dichloroethane 1917.81
    n-hexanol 709.38
    2-methoxyethanol 727.64
    isobutyl acetate 842.04
    tetrachloromethane 452.12
    n-pentyl acetate 1043.75
    transcutol 3052.83
    n-heptanol 311.91
    ethylbenzene 381.1
    MIBK 1148.42
    2-propoxyethanol 908.53
    tert-butanol 1055.87
    MTBE 1647.95
    2-butoxyethanol 594.48
    propionic acid 300.83
    o-xylene 355.77
    formic acid 25.04
    diethyl ether 2113.21
    m-xylene 395.27
    p-xylene 446.98
    chlorobenzene 643.5
    dimethyl carbonate 139.12
    n-octane 116.28
    formamide 56.46
    cyclopentanone 1777.16
    2-pentanone 1763.33
    anisole 583.86
    cyclopentyl methyl ether 1863.0
    gamma-butyrolactone 1330.92
    1-methoxy-2-propanol 865.63
    pyridine 1170.51
    3-pentanone 976.43
    furfural 851.32
    n-dodecane 46.52
    diethylene glycol 250.42
    diisopropyl ether 718.48
    tert-amyl alcohol 875.58
    acetylacetone 1178.19
    n-hexadecane 57.77
    acetophenone 574.67
    methyl propionate 747.85
    isopentyl acetate 1405.95
    trichloroethylene 2299.73
    n-nonanol 284.71
    cyclohexanol 1009.98
    benzyl alcohol 354.43
    2-ethylhexanol 670.53
    isooctanol 347.55
    dipropyl ether 1935.27
    1,2-dichlorobenzene 658.74
    ethyl lactate 295.28
    propylene carbonate 764.49
    n-methylformamide 230.6
    2-pentanol 753.59
    n-pentane 352.51
    1-propoxy-2-propanol 1052.05
    1-methoxy-2-propyl acetate 1072.93
    2-(2-methoxypropoxy) propanol 483.38
    mesitylene 310.55
    ε-caprolactone 1545.79
    p-cymene 300.73
    epichlorohydrin 1952.02
    1,1,1-trichloroethane 1682.28
    2-aminoethanol 92.47
    morpholine-4-carbaldehyde 878.0
    sulfolane 1607.32
    2,2,4-trimethylpentane 136.21
    2-methyltetrahydrofuran 2553.85
    n-hexyl acetate 1029.28
    isooctane 126.41
    2-(2-butoxyethoxy)ethanol 728.13
    sec-butyl acetate 1042.53
    tert-butyl acetate 1326.67
    decalin 274.63
    glycerin 83.69
    diglyme 1546.75
    acrylic acid 141.9
    isopropyl myristate 380.57
    n-butyric acid 967.17
    acetyl acetate 556.46
    di(2-ethylhexyl) phthalate 215.18
    ethyl propionate 1098.06
    nitromethane 502.26
    1,2-diethoxyethane 2001.27
    benzonitrile 510.47
    trioctyl phosphate 182.62
    1-bromopropane 1779.4
    gamma-valerolactone 1877.08
    n-decanol 195.7
    triethyl phosphate 392.06
    4-methyl-2-pentanol 475.99
    propionitrile 537.77
    vinylene carbonate 488.5
    1,1,2-trichlorotrifluoroethane 829.96
    DMS 420.65
    cumene 265.73
    2-octanol 267.59
    2-hexanone 1358.15
    octyl acetate 399.43
    limonene 632.08
    1,2-dimethoxyethane 1707.95
    ethyl orthosilicate 433.87
    tributyl phosphate 262.04
    diacetone alcohol 961.64
    N,N-dimethylaniline 400.97
    acrylonitrile 391.83
    aniline 436.99
    1,3-propanediol 249.68
    bromobenzene 786.56
    dibromomethane 1649.86
    1,1,2,2-tetrachloroethane 2225.18
    2-methyl-cyclohexyl acetate 782.85
    tetrabutyl urea 349.38
    diisobutyl methanol 495.69
    2-phenylethanol 421.0
    styrene 467.85
    dioctyl adipate 489.63
    dimethyl sulfate 241.51
    ethyl butyrate 1361.18
    methyl lactate 185.48
    butyl lactate 512.67
    diethyl carbonate 593.56
    propanediol butyl ether 375.51
    triethyl orthoformate 855.22
    p-tert-butyltoluene 280.76
    methyl 4-tert-butylbenzoate 483.26
    morpholine 2110.82
    tert-butylamine 826.0
    n-dodecanol 148.67
    dimethoxymethane 805.53
    ethylene carbonate 524.05
    cyrene 368.08
    2-ethoxyethyl acetate 971.41
    2-ethylhexyl acetate 1162.69
    1,2,4-trichlorobenzene 688.9
    4-methylpyridine 1165.6
    dibutyl ether 1324.82
    2,6-dimethyl-4-heptanol 495.69
    DEF 1310.33
    dimethyl isosorbide 965.35
    tetrachloroethylene 1327.2
    eugenol 379.07
    triacetin 682.56
    span 80 466.76
    1,4-butanediol 90.95
    1,1-dichloroethane 1760.58
    2-methyl-1-pentanol 595.6
    methyl formate 140.9
    2-methyl-1-butanol 692.36
    n-decane 114.81
    butyronitrile 927.75
    3,7-dimethyl-1-octanol 428.49
    1-chlorooctane 430.24
    1-chlorotetradecane 127.24
    n-nonane 130.92
    undecane 67.66
    tert-butylcyclohexane 220.13
    cyclooctane 296.95
    cyclopentanol 761.18
    tetrahydropyran 3219.51
    tert-amyl methyl ether 1115.09
    2,5,8-trioxanonane 867.16
    1-hexene 1211.31
    2-isopropoxyethanol 605.01
    2,2,2-trifluoroethanol 58.0
    methyl butyrate 1443.26

    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