13-Octadecenal, (13Z)-

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  • Identifiers

    CAS number
    58594-45-9

    Molecular formula
    C18H34O

    SMILES
    CCCC/C=C\CCCCCCCCCCCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 71.43%
    Waxy 62.81%
    Citrus 43.74%
    Oily 41.31%
    Meaty 38.06%
    Fruity 33.25%
    Fresh 28.98%
    Aldehydic 28.36%
    Fruit skin 27.52%
    Sweet 27.49%

     

    Flavor
    Waxy 44.99%
    Fatty 27.58%
    Citrus 25.55%
    Wax 25.0%
    Fresh 22.56%
    Incense 22.3%
    Citrus peel 22.17%
    Grapefruit peel 21.91%
    Slightly waxy 21.85%
    Alkane 21.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    6.65 (neutral)

    Molecular weight
    266.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 162.96 ˚C est.

  • Synonyms

    • (Z)-13-Octadecenal
    • 58594-45-9
    • (Z)-octadec-13-enal
    • 13-Octadecenal, (Z)-
    • 13-Octadecenal, (13Z)-
    • 13Z-Octadecenal
    • FJA253248W
    • EINECS 261-349-4
    • DTXSID2035774
    • OCTADECENAL, (Z)-13-
    • Z-13-Octadecanal
    • cis-13-Octadecenal
    • 13Z-Octadecanal
    • (13Z)-13-Octadecenal; cis-13-Octadecenal;
    • (13Z)-13-Octadecenal
    • UNII-FJA253248W
    • Z-13-Octadecenal
    • (13Z)-octadec-13-enal
    • SCHEMBL811956
    • (13Z)-13-Octadecenal #
    • CHEMBL5432779
    • DTXCID0015774
    • LMFA06000237
    • DB-278517
    • NS00022428
    • Q27278021
    • 261-349-4

  • Applications

    13-Octadecenal, (13Z)- (CAS 58594-45-9) is used predominantly as a long-chain aldehyde in fragrance chemistry, functioning as an odorant component and occasionally as a fixative in perfumery. In cosmetics and personal care, it is employed as a fragrance ingredient within various formulations. In household products, it may be formulated into fragranced cleaners and air‑care items. In industrial manufacturing, it serves as an intermediate for the synthesis of other fragrance compounds and specialty aroma materials. It can also be used as a fragrance additive in coatings and inks for scented applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.54
    methanol 110.95
    isopropanol 272.54
    water 0.0
    ethyl acetate 780.9
    n-propanol 249.46
    acetone 563.42
    n-butanol 351.91
    acetonitrile 146.77
    DMF 396.02
    toluene 273.65
    isobutanol 243.93
    1,4-dioxane 701.4
    methyl acetate 340.23
    THF 1777.6
    2-butanone 628.24
    n-pentanol 252.07
    sec-butanol 298.77
    n-hexane 237.3
    ethylene glycol 6.16
    NMP 617.26
    cyclohexane 705.61
    DMSO 688.96
    n-butyl acetate 1037.43
    n-octanol 178.1
    chloroform 1146.98
    n-propyl acetate 857.06
    acetic acid 115.63
    dichloromethane 1221.9
    cyclohexanone 1413.13
    propylene glycol 26.18
    isopropyl acetate 723.99
    DMAc 507.3
    2-ethoxyethanol 333.62
    isopentanol 421.8
    n-heptane 266.97
    ethyl formate 236.63
    1,2-dichloroethane 1116.59
    n-hexanol 318.79
    2-methoxyethanol 337.31
    isobutyl acetate 560.97
    tetrachloromethane 320.3
    n-pentyl acetate 803.9
    transcutol 1872.2
    n-heptanol 183.21
    ethylbenzene 231.25
    MIBK 707.05
    2-propoxyethanol 472.81
    tert-butanol 469.11
    MTBE 802.53
    2-butoxyethanol 377.7
    propionic acid 151.59
    o-xylene 231.91
    formic acid 12.72
    diethyl ether 918.03
    m-xylene 235.41
    p-xylene 296.47
    chlorobenzene 404.88
    dimethyl carbonate 89.98
    n-octane 74.84
    formamide 29.21
    cyclopentanone 1168.01
    2-pentanone 873.74
    anisole 394.7
    cyclopentyl methyl ether 1090.99
    gamma-butyrolactone 902.79
    1-methoxy-2-propanol 422.89
    pyridine 626.08
    3-pentanone 564.24
    furfural 570.35
    n-dodecane 31.71
    diethylene glycol 122.46
    diisopropyl ether 405.04
    tert-amyl alcohol 427.55
    acetylacetone 744.46
    n-hexadecane 39.5
    acetophenone 422.49
    methyl propionate 427.03
    isopentyl acetate 915.78
    trichloroethylene 1436.08
    n-nonanol 182.46
    cyclohexanol 541.28
    benzyl alcohol 210.17
    2-ethylhexanol 366.17
    isooctanol 219.07
    dipropyl ether 1105.56
    1,2-dichlorobenzene 465.31
    ethyl lactate 196.35
    propylene carbonate 538.31
    n-methylformamide 110.52
    2-pentanol 333.88
    n-pentane 154.57
    1-propoxy-2-propanol 607.05
    1-methoxy-2-propyl acetate 714.19
    2-(2-methoxypropoxy) propanol 339.5
    mesitylene 204.91
    ε-caprolactone 1069.72
    p-cymene 217.5
    epichlorohydrin 1236.58
    1,1,1-trichloroethane 1105.07
    2-aminoethanol 35.25
    morpholine-4-carbaldehyde 598.83
    sulfolane 1240.78
    2,2,4-trimethylpentane 87.76
    2-methyltetrahydrofuran 1421.05
    n-hexyl acetate 737.47
    isooctane 72.97
    2-(2-butoxyethoxy)ethanol 488.88
    sec-butyl acetate 699.8
    tert-butyl acetate 905.74
    decalin 182.35
    glycerin 38.58
    diglyme 1115.54
    acrylic acid 74.62
    isopropyl myristate 288.04
    n-butyric acid 525.32
    acetyl acetate 366.7
    di(2-ethylhexyl) phthalate 160.62
    ethyl propionate 689.77
    nitromethane 280.02
    1,2-diethoxyethane 1235.85
    benzonitrile 310.16
    trioctyl phosphate 137.69
    1-bromopropane 928.4
    gamma-valerolactone 1244.96
    n-decanol 126.75
    triethyl phosphate 320.18
    4-methyl-2-pentanol 253.26
    propionitrile 242.84
    vinylene carbonate 335.87
    1,1,2-trichlorotrifluoroethane 549.33
    DMS 297.49
    cumene 179.61
    2-octanol 168.06
    2-hexanone 746.78
    octyl acetate 296.39
    limonene 448.5
    1,2-dimethoxyethane 999.9
    ethyl orthosilicate 351.71
    tributyl phosphate 196.95
    diacetone alcohol 630.12
    N,N-dimethylaniline 289.23
    acrylonitrile 181.0
    aniline 228.8
    1,3-propanediol 108.47
    bromobenzene 504.07
    dibromomethane 947.26
    1,1,2,2-tetrachloroethane 1475.17
    2-methyl-cyclohexyl acetate 608.63
    tetrabutyl urea 274.68
    diisobutyl methanol 315.4
    2-phenylethanol 252.57
    styrene 271.84
    dioctyl adipate 381.79
    dimethyl sulfate 178.58
    ethyl butyrate 940.98
    methyl lactate 115.04
    butyl lactate 376.66
    diethyl carbonate 427.25
    propanediol butyl ether 241.36
    triethyl orthoformate 658.51
    p-tert-butyltoluene 200.78
    methyl 4-tert-butylbenzoate 403.73
    morpholine 1079.86
    tert-butylamine 369.75
    n-dodecanol 96.2
    dimethoxymethane 436.89
    ethylene carbonate 360.2
    cyrene 289.07
    2-ethoxyethyl acetate 721.14
    2-ethylhexyl acetate 785.04
    1,2,4-trichlorobenzene 494.62
    4-methylpyridine 636.28
    dibutyl ether 840.85
    2,6-dimethyl-4-heptanol 315.4
    DEF 752.02
    dimethyl isosorbide 760.62
    tetrachloroethylene 866.66
    eugenol 288.44
    triacetin 553.8
    span 80 328.5
    1,4-butanediol 40.34
    1,1-dichloroethane 954.97
    2-methyl-1-pentanol 299.97
    methyl formate 76.07
    2-methyl-1-butanol 327.15
    n-decane 78.64
    butyronitrile 423.09
    3,7-dimethyl-1-octanol 269.84
    1-chlorooctane 295.49
    1-chlorotetradecane 88.47
    n-nonane 85.27
    undecane 46.19
    tert-butylcyclohexane 137.9
    cyclooctane 187.68
    cyclopentanol 409.07
    tetrahydropyran 1653.74
    tert-amyl methyl ether 629.34
    2,5,8-trioxanonane 628.66
    1-hexene 484.64
    2-isopropoxyethanol 334.77
    2,2,2-trifluoroethanol 37.73
    methyl butyrate 910.0

    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