9,12-Octadecadienal

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  • Identifiers

    CAS number
    26537-70-2

    Molecular formula
    C18H32O

    SMILES
    CCCCC/C=C/C/C=C/CCCCCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 74.48%
    Waxy 51.03%
    Oily 46.95%
    Citrus 44.81%
    Fruity 39.76%
    Meaty 31.66%
    Herbal 28.27%
    Aldehydic 28.13%
    Orange 26.97%
    Fresh 26.79%

     

    Flavor
    Fatty 21.13%
    Citrus 20.3%
    Waxy 20.08%
    Faint 19.68%
    Delicate 19.47%
    Low 19.28%
    Honeydew 19.27%
    Diterpene 19.17%
    Oriental 19.16%
    Pumpkin 19.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.01 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 173.1 ˚C est.

  • Synonyms

    • 9,12-Octadecadienal
    • 26537-70-2
    • DTXSID20880841
    • RefChem:107554
    • DTXCID501022193
    • HXLZULGRVFOIDK-AVQMFFATSA-N
    • (9E,12E)-octadeca-9,12-dienal
    • 9,12-octadecenal
    • LMFA06000101
    • SCHEMBL910361
    • SCHEMBL2734396
    • CHEBI:165522
    • (9E,12E)-9,12-Octadecadienal
    • AS-77936
    • NS00095972
    • D92975
    • 9,12-Octadecadienal

  • Applications

    9,12-Octadecadienal (CAS 26537-70-2) is a long-chain unsaturated fatty aldehyde used primarily as an odorant in perfumery; it also may function as a flavor/aroma component in food formulations. In cosmetics and personal care, it can serve as a fragrance ingredient; in cleaning and household products, it can be employed as a scent additive. In industrial manufacturing, it is typically handled as an intermediate in the synthesis of other fatty aldehydes or fragrance materials, and it can act as a precursor for ester or polymer-derived derivatives under appropriate conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 386.33
    methanol 244.44
    isopropanol 397.66
    water 0.0
    ethyl acetate 1025.53
    n-propanol 395.74
    acetone 824.37
    n-butanol 496.39
    acetonitrile 210.39
    DMF 452.25
    toluene 330.29
    isobutanol 333.04
    1,4-dioxane 922.92
    methyl acetate 436.13
    THF 2120.61
    2-butanone 832.34
    n-pentanol 361.78
    sec-butanol 415.49
    n-hexane 247.41
    ethylene glycol 10.31
    NMP 575.39
    cyclohexane 642.65
    DMSO 953.04
    n-butyl acetate 1085.45
    n-octanol 165.82
    chloroform 1280.14
    n-propyl acetate 974.54
    acetic acid 158.83
    dichloromethane 1456.85
    cyclohexanone 1494.93
    propylene glycol 39.78
    isopropyl acetate 817.61
    DMAc 572.65
    2-ethoxyethanol 471.61
    isopentanol 541.96
    n-heptane 211.11
    ethyl formate 280.71
    1,2-dichloroethane 1417.86
    n-hexanol 399.09
    2-methoxyethanol 502.96
    isobutyl acetate 583.78
    tetrachloromethane 307.41
    n-pentyl acetate 721.08
    transcutol 2520.4
    n-heptanol 186.72
    ethylbenzene 239.31
    MIBK 789.85
    2-propoxyethanol 603.45
    tert-butanol 584.29
    MTBE 1023.2
    2-butoxyethanol 404.55
    propionic acid 186.69
    o-xylene 237.75
    formic acid 20.37
    diethyl ether 1385.51
    m-xylene 253.37
    p-xylene 287.72
    chlorobenzene 434.05
    dimethyl carbonate 104.43
    n-octane 56.61
    formamide 45.04
    cyclopentanone 1193.98
    2-pentanone 1107.67
    anisole 434.42
    cyclopentyl methyl ether 1218.54
    gamma-butyrolactone 921.02
    1-methoxy-2-propanol 556.42
    pyridine 768.34
    3-pentanone 663.16
    furfural 608.15
    n-dodecane 25.28
    diethylene glycol 172.03
    diisopropyl ether 443.26
    tert-amyl alcohol 523.47
    acetylacetone 883.52
    n-hexadecane 31.1
    acetophenone 439.72
    methyl propionate 525.1
    isopentyl acetate 939.69
    trichloroethylene 1685.47
    n-nonanol 169.97
    cyclohexanol 605.65
    benzyl alcohol 248.88
    2-ethylhexanol 391.67
    isooctanol 210.36
    dipropyl ether 1139.7
    1,2-dichlorobenzene 464.62
    ethyl lactate 210.77
    propylene carbonate 535.3
    n-methylformamide 149.2
    2-pentanol 427.5
    n-pentane 160.63
    1-propoxy-2-propanol 675.76
    1-methoxy-2-propyl acetate 790.13
    2-(2-methoxypropoxy) propanol 367.22
    mesitylene 199.62
    ε-caprolactone 1091.4
    p-cymene 192.42
    epichlorohydrin 1474.52
    1,1,1-trichloroethane 1136.16
    2-aminoethanol 57.16
    morpholine-4-carbaldehyde 642.75
    sulfolane 1168.82
    2,2,4-trimethylpentane 83.03
    2-methyltetrahydrofuran 1673.27
    n-hexyl acetate 680.9
    isooctane 71.12
    2-(2-butoxyethoxy)ethanol 554.48
    sec-butyl acetate 728.82
    tert-butyl acetate 957.78
    decalin 161.42
    glycerin 54.73
    diglyme 1241.3
    acrylic acid 91.89
    isopropyl myristate 254.72
    n-butyric acid 636.79
    acetyl acetate 416.04
    di(2-ethylhexyl) phthalate 153.71
    ethyl propionate 764.06
    nitromethane 363.37
    1,2-diethoxyethane 1491.76
    benzonitrile 335.73
    trioctyl phosphate 125.95
    1-bromopropane 1128.61
    gamma-valerolactone 1351.58
    n-decanol 118.02
    triethyl phosphate 288.47
    4-methyl-2-pentanol 286.24
    propionitrile 307.82
    vinylene carbonate 343.33
    1,1,2-trichlorotrifluoroethane 607.95
    DMS 309.65
    cumene 170.95
    2-octanol 156.35
    2-hexanone 897.02
    octyl acetate 267.82
    limonene 407.49
    1,2-dimethoxyethane 1213.33
    ethyl orthosilicate 324.99
    tributyl phosphate 178.95
    diacetone alcohol 694.01
    N,N-dimethylaniline 295.84
    acrylonitrile 233.7
    aniline 278.18
    1,3-propanediol 161.53
    bromobenzene 534.6
    dibromomethane 1128.36
    1,1,2,2-tetrachloroethane 1630.47
    2-methyl-cyclohexyl acetate 571.54
    tetrabutyl urea 249.91
    diisobutyl methanol 300.0
    2-phenylethanol 283.35
    styrene 299.2
    dioctyl adipate 356.75
    dimethyl sulfate 189.41
    ethyl butyrate 923.97
    methyl lactate 132.89
    butyl lactate 362.97
    diethyl carbonate 422.85
    propanediol butyl ether 256.49
    triethyl orthoformate 615.73
    p-tert-butyltoluene 179.94
    methyl 4-tert-butylbenzoate 369.4
    morpholine 1433.83
    tert-butylamine 447.6
    n-dodecanol 89.61
    dimethoxymethane 584.74
    ethylene carbonate 370.29
    cyrene 287.7
    2-ethoxyethyl acetate 760.46
    2-ethylhexyl acetate 773.36
    1,2,4-trichlorobenzene 496.05
    4-methylpyridine 755.84
    dibutyl ether 816.79
    2,6-dimethyl-4-heptanol 300.0
    DEF 878.59
    dimethyl isosorbide 764.89
    tetrachloroethylene 957.8
    eugenol 282.72
    triacetin 519.65
    span 80 329.97
    1,4-butanediol 56.46
    1,1-dichloroethane 1149.79
    2-methyl-1-pentanol 390.0
    methyl formate 94.72
    2-methyl-1-butanol 423.87
    n-decane 60.82
    butyronitrile 543.0
    3,7-dimethyl-1-octanol 263.55
    1-chlorooctane 251.95
    1-chlorotetradecane 73.81
    n-nonane 65.16
    undecane 36.44
    tert-butylcyclohexane 123.64
    cyclooctane 159.69
    cyclopentanol 432.06
    tetrahydropyran 2073.35
    tert-amyl methyl ether 732.15
    2,5,8-trioxanonane 694.2
    1-hexene 586.16
    2-isopropoxyethanol 416.81
    2,2,2-trifluoroethanol 41.8
    methyl butyrate 995.09

    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