16-Octadecenal

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  • Identifiers

    CAS number
    56554-87-1

    Molecular formula
    C18H34O

    SMILES
    C/C=C/CCCCCCCCCCCCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 67.4%
    Waxy 63.91%
    Citrus 49.29%
    Oily 39.1%
    Fruity 36.06%
    Meaty 35.72%
    Fresh 35.58%
    Aldehydic 33.84%
    Orange 31.01%
    Sweet 30.76%

     

    Flavor
    Waxy 55.9%
    Citrus 35.88%
    Fresh 32.66%
    Fatty 31.33%
    Wax 30.67%
    Aldehydic 29.04%
    Floral 27.78%
    Soapy 27.43%
    Fat 26.22%
    Flower 25.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    6.84 (neutral)

    Molecular weight
    266.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Flash point

    • 163.94 ˚C est.

  • Synonyms

    • 16-Octadecenal
    • 56554-87-1
    • (E)-octadec-16-enal
    • RefChem:79054
    • WTQUVMLIINDJCS-NSCUHMNNSA-N
    • (16E)-16-Octadecenal #
    • 56554-87-1

  • Applications

    16-Octadecenal (CAS 56554-87-1) is a long-chain unsaturated aldehyde used primarily as a fragrance ingredient in perfumery and personal care products, where it may function as a scent component or a fixative depending on formulation. In flavor applications, it can be considered as an aroma constituent for certain processed foods or flavor profiles. In household products such as cleaners and detergents, it is employed as a fragrance additive to impart subtle, waxy notes. As an industrial intermediate, it can be used as a building block for synthesizing other long-chain aldehydes or alcohols in chemical manufacturing. It may also be explored for use in coatings where a fragrance note is desired, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.27
    methanol 31.57
    isopropanol 87.32
    water 0.0
    ethyl acetate 396.69
    n-propanol 84.19
    acetone 222.31
    n-butanol 128.81
    acetonitrile 63.32
    DMF 228.5
    toluene 167.49
    isobutanol 92.4
    1,4-dioxane 374.43
    methyl acetate 180.22
    THF 1073.86
    2-butanone 297.04
    n-pentanol 99.84
    sec-butanol 113.19
    n-hexane 121.86
    ethylene glycol 2.46
    NMP 481.43
    cyclohexane 425.58
    DMSO 347.32
    n-butyl acetate 590.95
    n-octanol 98.68
    chloroform 775.01
    n-propyl acetate 470.65
    acetic acid 55.58
    dichloromethane 807.57
    cyclohexanone 867.12
    propylene glycol 11.07
    isopropyl acetate 410.21
    DMAc 340.13
    2-ethoxyethanol 151.12
    isopentanol 180.34
    n-heptane 171.68
    ethyl formate 124.09
    1,2-dichloroethane 695.26
    n-hexanol 141.43
    2-methoxyethanol 144.77
    isobutyl acetate 337.77
    tetrachloromethane 231.79
    n-pentyl acetate 518.49
    transcutol 990.77
    n-heptanol 97.82
    ethylbenzene 152.82
    MIBK 394.47
    2-propoxyethanol 229.65
    tert-butanol 194.35
    MTBE 372.38
    2-butoxyethanol 208.37
    propionic acid 75.21
    o-xylene 159.12
    formic acid 6.05
    diethyl ether 381.31
    m-xylene 150.9
    p-xylene 204.5
    chlorobenzene 268.14
    dimethyl carbonate 57.91
    n-octane 50.15
    formamide 14.01
    cyclopentanone 784.62
    2-pentanone 423.46
    anisole 263.64
    cyclopentyl methyl ether 681.04
    gamma-butyrolactone 619.87
    1-methoxy-2-propanol 193.03
    pyridine 376.78
    3-pentanone 317.45
    furfural 403.75
    n-dodecane 22.16
    diethylene glycol 60.71
    diisopropyl ether 224.4
    tert-amyl alcohol 197.82
    acetylacetone 430.68
    n-hexadecane 27.77
    acetophenone 297.86
    methyl propionate 235.34
    isopentyl acetate 546.85
    trichloroethylene 956.48
    n-nonanol 107.05
    cyclohexanol 272.46
    benzyl alcohol 125.44
    2-ethylhexanol 194.09
    isooctanol 123.59
    dipropyl ether 623.7
    1,2-dichlorobenzene 336.13
    ethyl lactate 122.44
    propylene carbonate 369.57
    n-methylformamide 52.75
    2-pentanol 138.4
    n-pentane 75.38
    1-propoxy-2-propanol 319.03
    1-methoxy-2-propyl acetate 439.98
    2-(2-methoxypropoxy) propanol 222.34
    mesitylene 141.33
    ε-caprolactone 679.67
    p-cymene 158.66
    epichlorohydrin 792.93
    1,1,1-trichloroethane 768.08
    2-aminoethanol 13.76
    morpholine-4-carbaldehyde 393.52
    sulfolane 955.15
    2,2,4-trimethylpentane 56.89
    2-methyltetrahydrofuran 819.28
    n-hexyl acetate 470.48
    isooctane 45.28
    2-(2-butoxyethoxy)ethanol 295.54
    sec-butyl acetate 412.41
    tert-butyl acetate 550.4
    decalin 129.0
    glycerin 18.32
    diglyme 705.89
    acrylic acid 41.3
    isopropyl myristate 201.65
    n-butyric acid 253.61
    acetyl acetate 217.93
    di(2-ethylhexyl) phthalate 112.66
    ethyl propionate 402.28
    nitromethane 142.7
    1,2-diethoxyethane 678.88
    benzonitrile 189.0
    trioctyl phosphate 94.12
    1-bromopropane 514.6
    gamma-valerolactone 796.23
    n-decanol 75.89
    triethyl phosphate 245.68
    4-methyl-2-pentanol 120.99
    propionitrile 115.76
    vinylene carbonate 229.28
    1,1,2-trichlorotrifluoroethane 362.65
    DMS 204.78
    cumene 123.35
    2-octanol 96.33
    2-hexanone 406.13
    octyl acetate 202.91
    limonene 318.28
    1,2-dimethoxyethane 519.67
    ethyl orthosilicate 264.77
    tributyl phosphate 138.23
    diacetone alcohol 360.76
    N,N-dimethylaniline 203.3
    acrylonitrile 90.26
    aniline 136.34
    1,3-propanediol 42.22
    bromobenzene 343.77
    dibromomethane 614.94
    1,1,2,2-tetrachloroethane 1041.62
    2-methyl-cyclohexyl acetate 439.08
    tetrabutyl urea 194.17
    diisobutyl methanol 189.42
    2-phenylethanol 149.47
    styrene 170.62
    dioctyl adipate 274.18
    dimethyl sulfate 131.33
    ethyl butyrate 600.55
    methyl lactate 68.99
    butyl lactate 243.31
    diethyl carbonate 283.81
    propanediol butyl ether 137.89
    triethyl orthoformate 455.19
    p-tert-butyltoluene 148.99
    methyl 4-tert-butylbenzoate 310.68
    morpholine 528.61
    tert-butylamine 166.14
    n-dodecanol 58.1
    dimethoxymethane 226.02
    ethylene carbonate 236.05
    cyrene 217.44
    2-ethoxyethyl acetate 444.69
    2-ethylhexyl acetate 488.84
    1,2,4-trichlorobenzene 370.65
    4-methylpyridine 371.15
    dibutyl ether 503.44
    2,6-dimethyl-4-heptanol 189.42
    DEF 434.65
    dimethyl isosorbide 569.64
    tetrachloroethylene 600.04
    eugenol 206.29
    triacetin 398.48
    span 80 213.36
    1,4-butanediol 17.47
    1,1-dichloroethane 566.31
    2-methyl-1-pentanol 135.73
    methyl formate 42.06
    2-methyl-1-butanol 143.91
    n-decane 53.29
    butyronitrile 192.34
    3,7-dimethyl-1-octanol 161.3
    1-chlorooctane 202.17
    1-chlorotetradecane 64.47
    n-nonane 56.61
    undecane 32.06
    tert-butylcyclohexane 95.66
    cyclooctane 126.88
    cyclopentanol 221.09
    tetrahydropyran 816.19
    tert-amyl methyl ether 350.39
    2,5,8-trioxanonane 420.12
    1-hexene 222.94
    2-isopropoxyethanol 166.01
    2,2,2-trifluoroethanol 22.66
    methyl butyrate 530.49

    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