(Z)-9-Hexadecenal

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  • Identifiers

    CAS number
    56219-04-6

    Molecular formula
    C16H30O

    SMILES
    CCCCCC/C=C\CCCCCCCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 71.7%
    Waxy 63.77%
    Citrus 58.59%
    Fruity 42.71%
    Aldehydic 40.0%
    Orange 38.51%
    Oily 38.06%
    Meaty 37.37%
    Fresh 36.95%
    Fruit skin 33.05%

     

    Flavor
    Waxy 45.02%
    Citrus 31.29%
    Fatty 29.24%
    Wax 25.32%
    Fresh 24.97%
    Aldehydic 23.68%
    Incense 22.37%
    Citrus peel 22.26%
    Grapefruit peel 22.01%
    Dewy 21.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    6.78 (neutral)

    Molecular weight
    238.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 148.29 ˚C est.

  • Synonyms

    • (Z)-9-Hexadecenal
    • 56219-04-6
    • 9-Hexadecenal, (9Z)-
    • NXO9ML6I2E
    • DTXSID5041194
    • RefChem:549388
    • DTXCID3021194
    • 260-064-2
    • (Z)-Hexadec-9-enal
    • cis-9-Hexadecenal
    • 9Z-Hexadecenal
    • (9Z)-9-Hexadecenal
    • Z-9-HEXADECENAL
    • Palmitolealdehyde
    • 9-Hexadecenal, (Z)-
    • (9Z)-HEXADEC-9-ENAL
    • CIS-9-HEXADECENAL, 95
    • EINECS 260-064-2
    • UNII-NXO9ML6I2E
    • (9Z)-9-Hexadecenal #
    • SCHEMBL556941
    • SCHEMBL910387
    • HEXADECENAL, (Z)-9-
    • CHEBI:179683
    • 9Z-HEXADECEN/AL , 95 %
    • LMFA06000217
    • 9Z-Hexadecenal CAS 56219-04-6
    • FH23782
    • NS00022384
    • H60169
    • Q27285093
    • 81K
    • 9-Hexadecenal, (Z)-; Palmitolealdehyde (6CI); (9Z)-9-Hexadecenal; (Z)-9-Hexadecenal; cis-9-Hexadecenal
    • 56219-04-6

  • Applications

    (Z)-9-Hexadecenal, CAS 56219-04-6, is primarily used as a fragrance ingredient and odorant in perfumery, contributing to fragrance profiles; it may serve as an intermediate in the synthesis of other fragrance compounds in industrial manufacturing; in cosmetics and personal care formulations it can be used as a scent component; it may also be used in household products as a fragrance additive and in coatings and inks as a fragrance additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 521.66
    methanol 287.94
    isopropanol 627.25
    water 0.0
    ethyl acetate 1389.04
    n-propanol 571.74
    acetone 1229.57
    n-butanol 722.45
    acetonitrile 321.36
    DMF 660.91
    toluene 493.51
    isobutanol 507.97
    1,4-dioxane 1215.05
    methyl acetate 607.91
    THF 2880.79
    2-butanone 1242.02
    n-pentanol 518.86
    sec-butanol 640.2
    n-hexane 536.77
    ethylene glycol 14.65
    NMP 793.16
    cyclohexane 1065.65
    DMSO 1217.34
    n-butyl acetate 1599.01
    n-octanol 259.19
    chloroform 1757.38
    n-propyl acetate 1311.61
    acetic acid 207.92
    dichloromethane 1901.62
    cyclohexanone 2099.72
    propylene glycol 56.96
    isopropyl acetate 1115.68
    DMAc 687.43
    2-ethoxyethanol 582.73
    isopentanol 780.87
    n-heptane 416.38
    ethyl formate 378.91
    1,2-dichloroethane 1844.21
    n-hexanol 639.29
    2-methoxyethanol 656.19
    isobutyl acetate 790.5
    tetrachloromethane 436.01
    n-pentyl acetate 975.65
    transcutol 2919.94
    n-heptanol 280.38
    ethylbenzene 357.69
    MIBK 1074.47
    2-propoxyethanol 845.92
    tert-butanol 939.88
    MTBE 1537.85
    2-butoxyethanol 541.58
    propionic acid 271.04
    o-xylene 342.9
    formic acid 22.71
    diethyl ether 1969.37
    m-xylene 375.48
    p-xylene 425.21
    chlorobenzene 617.5
    dimethyl carbonate 134.19
    n-octane 106.14
    formamide 51.42
    cyclopentanone 1688.1
    2-pentanone 1615.03
    anisole 556.14
    cyclopentyl methyl ether 1788.52
    gamma-butyrolactone 1281.75
    1-methoxy-2-propanol 787.88
    pyridine 1076.32
    3-pentanone 928.69
    furfural 816.34
    n-dodecane 42.88
    diethylene glycol 232.08
    diisopropyl ether 679.78
    tert-amyl alcohol 789.66
    acetylacetone 1124.68
    n-hexadecane 53.43
    acetophenone 547.33
    methyl propionate 708.68
    isopentyl acetate 1334.09
    trichloroethylene 2221.07
    n-nonanol 257.19
    cyclohexanol 920.05
    benzyl alcohol 327.85
    2-ethylhexanol 615.15
    isooctanol 314.15
    dipropyl ether 1783.9
    1,2-dichlorobenzene 639.97
    ethyl lactate 276.53
    propylene carbonate 730.75
    n-methylformamide 206.5
    2-pentanol 669.2
    n-pentane 323.85
    1-propoxy-2-propanol 973.21
    1-methoxy-2-propyl acetate 1037.46
    2-(2-methoxypropoxy) propanol 463.09
    mesitylene 298.57
    ε-caprolactone 1480.62
    p-cymene 284.89
    epichlorohydrin 1884.69
    1,1,1-trichloroethane 1620.17
    2-aminoethanol 80.97
    morpholine-4-carbaldehyde 841.49
    sulfolane 1570.23
    2,2,4-trimethylpentane 131.06
    2-methyltetrahydrofuran 2391.33
    n-hexyl acetate 962.05
    isooctane 119.82
    2-(2-butoxyethoxy)ethanol 687.12
    sec-butyl acetate 984.03
    tert-butyl acetate 1265.87
    decalin 261.9
    glycerin 75.35
    diglyme 1467.01
    acrylic acid 129.66
    isopropyl myristate 363.51
    n-butyric acid 867.97
    acetyl acetate 529.95
    di(2-ethylhexyl) phthalate 204.73
    ethyl propionate 1033.12
    nitromethane 457.26
    1,2-diethoxyethane 1897.38
    benzonitrile 474.25
    trioctyl phosphate 172.55
    1-bromopropane 1663.92
    gamma-valerolactone 1786.32
    n-decanol 178.6
    triethyl phosphate 380.38
    4-methyl-2-pentanol 430.83
    propionitrile 483.76
    vinylene carbonate 461.46
    1,1,2-trichlorotrifluoroethane 795.43
    DMS 408.58
    cumene 252.36
    2-octanol 241.47
    2-hexanone 1248.46
    octyl acetate 379.9
    limonene 600.7
    1,2-dimethoxyethane 1564.64
    ethyl orthosilicate 421.88
    tributyl phosphate 251.74
    diacetone alcohol 912.12
    N,N-dimethylaniline 382.91
    acrylonitrile 353.17
    aniline 409.09
    1,3-propanediol 220.42
    bromobenzene 757.92
    dibromomethane 1553.94
    1,1,2,2-tetrachloroethane 2143.4
    2-methyl-cyclohexyl acetate 752.96
    tetrabutyl urea 333.83
    diisobutyl methanol 461.7
    2-phenylethanol 394.34
    styrene 437.92
    dioctyl adipate 467.11
    dimethyl sulfate 237.09
    ethyl butyrate 1280.27
    methyl lactate 174.61
    butyl lactate 478.01
    diethyl carbonate 566.83
    propanediol butyl ether 343.84
    triethyl orthoformate 818.73
    p-tert-butyltoluene 268.4
    methyl 4-tert-butylbenzoate 464.62
    morpholine 1908.85
    tert-butylamine 743.21
    n-dodecanol 136.9
    dimethoxymethane 756.35
    ethylene carbonate 495.02
    cyrene 354.5
    2-ethoxyethyl acetate 927.87
    2-ethylhexyl acetate 1107.11
    1,2,4-trichlorobenzene 674.65
    4-methylpyridine 1081.28
    dibutyl ether 1232.98
    2,6-dimethyl-4-heptanol 461.7
    DEF 1238.15
    dimethyl isosorbide 942.21
    tetrachloroethylene 1274.34
    eugenol 361.83
    triacetin 655.14
    span 80 439.95
    1,4-butanediol 79.14
    1,1-dichloroethane 1659.5
    2-methyl-1-pentanol 537.0
    methyl formate 128.28
    2-methyl-1-butanol 620.74
    n-decane 104.98
    butyronitrile 827.9
    3,7-dimethyl-1-octanol 395.28
    1-chlorooctane 399.61
    1-chlorotetradecane 119.61
    n-nonane 119.0
    undecane 62.25
    tert-butylcyclohexane 209.56
    cyclooctane 281.81
    cyclopentanol 689.73
    tetrahydropyran 2909.09
    tert-amyl methyl ether 1063.14
    2,5,8-trioxanonane 830.93
    1-hexene 1101.49
    2-isopropoxyethanol 557.5
    2,2,2-trifluoroethanol 54.0
    methyl butyrate 1347.29

    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