2,12-Tridecadienal

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  • Identifiers

    CAS number
    72894-15-6

    Molecular formula
    C13H22O

    SMILES
    C=CCCCCCCCCC=CC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 83.92%
    Citrus 78.71%
    Waxy 72.22%
    Aldehydic 66.74%
    Green 63.81%
    Orange 56.97%
    Fruity 56.41%
    Floral 49.84%
    Fresh 49.49%
    Cucumber 44.55%

     

    Flavor
    Waxy 59.3%
    Citrus 56.81%
    Fatty 47.83%
    Sweet 45.03%
    Orange 43.63%
    Aldehydic 42.23%
    Green 41.37%
    Floral 38.42%
    Fat 37.84%
    Fresh 37.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    6.67 (neutral)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point

    • 125.03 ˚C est.

  • Synonyms

    • 2,12-Tridecadienal
    • 72894-15-6
    • EINECS 276-966-4
    • DTXSID1072632
    • RefChem:80514
    • DTXCID9047384
    • SCHEMBL18941590
    • NS00037422
    • 72894-15-6

  • Applications

    2,12-Tridecadienal (CAS 72894-15-6) is a long-chain unsaturated aldehyde that may function as an odorant and fragrance ingredient and can serve as a synthetic intermediate in fragrance chemistry. In practice, it is considered for applications in fragrance/perfumery, cosmetics/personal care, household and cleaning products, flavor/aroma applications, and as an intermediate in industrial manufacturing for other specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 634.34
    methanol 482.87
    isopropanol 625.49
    water 0.01
    ethyl acetate 975.84
    n-propanol 575.74
    acetone 1150.23
    n-butanol 601.0
    acetonitrile 347.53
    DMF 646.09
    toluene 395.03
    isobutanol 436.23
    1,4-dioxane 960.09
    methyl acetate 511.65
    THF 2299.55
    2-butanone 991.74
    n-pentanol 466.55
    sec-butanol 550.55
    n-hexane 344.85
    ethylene glycol 35.59
    NMP 621.16
    cyclohexane 500.22
    DMSO 1399.57
    n-butyl acetate 934.52
    n-octanol 162.92
    chloroform 1307.6
    n-propyl acetate 738.48
    acetic acid 261.34
    dichloromethane 1498.22
    cyclohexanone 1379.5
    propylene glycol 106.51
    isopropyl acetate 632.35
    DMAc 503.13
    2-ethoxyethanol 496.27
    isopentanol 583.56
    n-heptane 194.15
    ethyl formate 304.17
    1,2-dichloroethane 1370.23
    n-hexanol 563.07
    2-methoxyethanol 700.25
    isobutyl acetate 437.47
    tetrachloromethane 264.07
    n-pentyl acetate 431.68
    transcutol 2216.57
    n-heptanol 181.27
    ethylbenzene 229.98
    MIBK 635.3
    2-propoxyethanol 702.6
    tert-butanol 751.06
    MTBE 897.42
    2-butoxyethanol 341.29
    propionic acid 296.24
    o-xylene 225.48
    formic acid 39.76
    diethyl ether 1291.47
    m-xylene 273.23
    p-xylene 251.84
    chlorobenzene 462.9
    dimethyl carbonate 120.74
    n-octane 49.38
    formamide 76.75
    cyclopentanone 1369.64
    2-pentanone 1093.78
    anisole 376.01
    cyclopentyl methyl ether 1211.99
    gamma-butyrolactone 1120.43
    1-methoxy-2-propanol 726.73
    pyridine 877.17
    3-pentanone 625.49
    furfural 721.84
    n-dodecane 23.32
    diethylene glycol 281.79
    diisopropyl ether 369.8
    tert-amyl alcohol 582.2
    acetylacetone 822.43
    n-hexadecane 28.08
    acetophenone 349.07
    methyl propionate 558.87
    isopentyl acetate 753.27
    trichloroethylene 1742.66
    n-nonanol 155.61
    cyclohexanol 645.62
    benzyl alcohol 272.33
    2-ethylhexanol 415.63
    isooctanol 185.04
    dipropyl ether 885.27
    1,2-dichlorobenzene 423.0
    ethyl lactate 196.91
    propylene carbonate 567.48
    n-methylformamide 251.4
    2-pentanol 519.73
    n-pentane 214.31
    1-propoxy-2-propanol 682.7
    1-methoxy-2-propyl acetate 651.1
    2-(2-methoxypropoxy) propanol 327.19
    mesitylene 195.97
    ε-caprolactone 914.73
    p-cymene 158.98
    epichlorohydrin 1497.86
    1,1,1-trichloroethane 1042.77
    2-aminoethanol 140.14
    morpholine-4-carbaldehyde 628.06
    sulfolane 1307.21
    2,2,4-trimethylpentane 74.57
    2-methyltetrahydrofuran 1699.81
    n-hexyl acetate 476.85
    isooctane 71.42
    2-(2-butoxyethoxy)ethanol 466.47
    sec-butyl acetate 499.13
    tert-butyl acetate 673.33
    decalin 136.07
    glycerin 118.16
    diglyme 959.32
    acrylic acid 169.98
    isopropyl myristate 185.65
    n-butyric acid 680.88
    acetyl acetate 368.1
    di(2-ethylhexyl) phthalate 124.86
    ethyl propionate 574.1
    nitromethane 490.01
    1,2-diethoxyethane 1093.38
    benzonitrile 350.32
    trioctyl phosphate 101.33
    1-bromopropane 1125.69
    gamma-valerolactone 1287.77
    n-decanol 111.52
    triethyl phosphate 209.76
    4-methyl-2-pentanol 289.45
    propionitrile 442.54
    vinylene carbonate 380.42
    1,1,2-trichlorotrifluoroethane 668.33
    DMS 271.99
    cumene 150.66
    2-octanol 135.88
    2-hexanone 810.93
    octyl acetate 198.51
    limonene 315.02
    1,2-dimethoxyethane 1008.35
    ethyl orthosilicate 224.65
    tributyl phosphate 146.07
    diacetone alcohol 584.56
    N,N-dimethylaniline 239.37
    acrylonitrile 374.78
    aniline 350.11
    1,3-propanediol 262.96
    bromobenzene 541.24
    dibromomethane 1184.16
    1,1,2,2-tetrachloroethane 1542.92
    2-methyl-cyclohexyl acetate 412.95
    tetrabutyl urea 182.39
    diisobutyl methanol 271.72
    2-phenylethanol 297.3
    styrene 301.23
    dioctyl adipate 252.92
    dimethyl sulfate 206.55
    ethyl butyrate 649.82
    methyl lactate 174.09
    butyl lactate 271.84
    diethyl carbonate 325.41
    propanediol butyl ether 251.47
    triethyl orthoformate 412.55
    p-tert-butyltoluene 155.23
    methyl 4-tert-butylbenzoate 265.57
    morpholine 1424.17
    tert-butylamine 547.47
    n-dodecanol 84.86
    dimethoxymethane 669.23
    ethylene carbonate 368.09
    cyrene 261.09
    2-ethoxyethyl acetate 497.6
    2-ethylhexyl acetate 587.12
    1,2,4-trichlorobenzene 454.16
    4-methylpyridine 768.96
    dibutyl ether 571.6
    2,6-dimethyl-4-heptanol 271.72
    DEF 805.02
    dimethyl isosorbide 620.44
    tetrachloroethylene 968.31
    eugenol 231.74
    triacetin 362.49
    span 80 291.73
    1,4-butanediol 100.01
    1,1-dichloroethane 1204.77
    2-methyl-1-pentanol 420.71
    methyl formate 163.12
    2-methyl-1-butanol 481.43
    n-decane 49.98
    butyronitrile 606.16
    3,7-dimethyl-1-octanol 234.22
    1-chlorooctane 201.88
    1-chlorotetradecane 65.26
    n-nonane 56.56
    undecane 32.7
    tert-butylcyclohexane 114.43
    cyclooctane 135.81
    cyclopentanol 562.32
    tetrahydropyran 1922.67
    tert-amyl methyl ether 614.68
    2,5,8-trioxanonane 566.35
    1-hexene 799.0
    2-isopropoxyethanol 410.04
    2,2,2-trifluoroethanol 60.95
    methyl butyrate 760.25

    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