2,4,7-Decatrienal, (2E,4E,7Z)-

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  • Identifiers

    CAS number
    66642-86-2

    Molecular formula
    C10H14O

    SMILES
    CC/C=C\C/C=C/C=C/C=O

    Retention indicies (RI)

    • Carbowax: 1878.0

  • Odor profile

    Fatty 88.97%
    Green 74.78%
    Citrus 59.34%
    Melon 56.43%
    Cucumber 55.0%
    Oily 54.91%
    Waxy 49.23%
    Aldehydic 45.4%
    Fishy 45.04%
    Vegetable 42.09%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 258.00 to 259.00 °C. @ 760.00 mm Hg

    Flash point est.
    108.13 ˚C

  • Synonyms

    • (2e,4e,7z)-2,4,7-decatrienal
    • (2E,4E,7Z)-deca-2,4,7-trienal
    • 66642-86-2
    • 2-trans-4-trans-7-cis-Decatrienal
    • FEMA No. 4089
    • 2,4,7-Decatrienal, (E,E,Z)-
    • 7T95T8UHI8
    • 2-trans-4-trans-7-cis-Decatrien-1-al
    • tr-2,tr-4,cis-7-Decatrienal
    • 2,4,7-Decatrienal, (2E,4E,7Z)-
    • 2-trans-4-trans-7-cis-Decatrienal [FIFH]
    • DTXSID501308658
    • J723.742A
    • 2,4,7-DECATRIENAL, TRANS,TRANS,CIS-
    • 2-TRANS-4-TRANS-7-CIS-DECATRIENAL [FHFI]
    • 2-trans-4-trans-7-cis-Decatrienal (FIFH)
    • UNII-7T95T8UHI8
    • 2E,4E,7Z-Decatrienal
    • SCHEMBL3503768
    • (e,e,z)-2,4,7-decatrienal
    • CHEBI:195900
    • DTXCID701738558
    • Q27268820

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1992.75
    methanol 1918.16
    isopropanol 1289.32
    water 0.07
    ethyl acetate 1895.61
    n-propanol 1396.58
    acetone 2574.82
    n-butanol 1202.86
    acetonitrile 1280.48
    DMF 1550.33
    toluene 600.08
    isobutanol 803.5
    1,4-dioxane 1726.72
    methyl acetate 1240.32
    THF 2628.27
    2-butanone 1841.29
    n-pentanol 832.6
    sec-butanol 976.27
    n-hexane 334.78
    ethylene glycol 188.47
    NMP 976.11
    cyclohexane 308.98
    DMSO 2898.86
    n-butyl acetate 1250.02
    n-octanol 222.62
    chloroform 2080.92
    n-propyl acetate 1037.15
    acetic acid 806.59
    dichloromethane 2557.92
    cyclohexanone 1762.07
    propylene glycol 327.68
    isopropyl acetate 848.24
    DMAc 814.0
    2-ethoxyethanol 877.28
    isopentanol 887.64
    n-heptane 155.1
    ethyl formate 569.87
    1,2-dichloroethane 2234.81
    n-hexanol 925.13
    2-methoxyethanol 1510.64
    isobutyl acetate 522.65
    tetrachloromethane 308.55
    n-pentyl acetate 423.12
    transcutol 3595.58
    n-heptanol 232.35
    ethylbenzene 282.19
    MIBK 686.74
    2-propoxyethanol 1136.72
    tert-butanol 1259.96
    MTBE 1317.85
    2-butoxyethanol 430.03
    propionic acid 758.0
    o-xylene 256.6
    formic acid 153.12
    diethyl ether 2275.41
    m-xylene 353.57
    p-xylene 287.53
    chlorobenzene 618.03
    dimethyl carbonate 257.92
    n-octane 41.49
    formamide 293.68
    cyclopentanone 1819.3
    2-pentanone 1644.92
    anisole 525.52
    cyclopentyl methyl ether 1391.99
    gamma-butyrolactone 1522.37
    1-methoxy-2-propanol 1160.29
    pyridine 1563.59
    3-pentanone 1009.04
    furfural 906.14
    n-dodecane 24.93
    diethylene glycol 602.91
    diisopropyl ether 435.26
    tert-amyl alcohol 870.29
    acetylacetone 1161.33
    n-hexadecane 29.24
    acetophenone 440.07
    methyl propionate 1161.1
    isopentyl acetate 914.59
    trichloroethylene 2896.46
    n-nonanol 194.17
    cyclohexanol 848.47
    benzyl alcohol 410.83
    2-ethylhexanol 506.51
    isooctanol 198.41
    dipropyl ether 934.36
    1,2-dichlorobenzene 488.57
    ethyl lactate 251.46
    propylene carbonate 660.31
    n-methylformamide 724.15
    2-pentanol 837.59
    n-pentane 236.82
    1-propoxy-2-propanol 901.07
    1-methoxy-2-propyl acetate 821.85
    2-(2-methoxypropoxy) propanol 437.11
    mesitylene 207.94
    ε-caprolactone 1089.22
    p-cymene 156.28
    epichlorohydrin 2066.59
    1,1,1-trichloroethane 1396.3
    2-aminoethanol 481.43
    morpholine-4-carbaldehyde 1024.14
    sulfolane 1635.41
    2,2,4-trimethylpentane 72.5
    2-methyltetrahydrofuran 2176.57
    n-hexyl acetate 547.33
    isooctane 70.05
    2-(2-butoxyethoxy)ethanol 654.01
    sec-butyl acetate 576.29
    tert-butyl acetate 797.18
    decalin 122.22
    glycerin 322.35
    diglyme 1227.85
    acrylic acid 448.77
    isopropyl myristate 198.23
    n-butyric acid 1131.26
    acetyl acetate 594.89
    di(2-ethylhexyl) phthalate 156.84
    ethyl propionate 773.59
    nitromethane 1397.64
    1,2-diethoxyethane 1510.08
    benzonitrile 518.96
    trioctyl phosphate 113.39
    1-bromopropane 1646.34
    gamma-valerolactone 1566.34
    n-decanol 142.52
    triethyl phosphate 211.97
    4-methyl-2-pentanol 347.82
    propionitrile 991.45
    vinylene carbonate 534.07
    1,1,2-trichlorotrifluoroethane 1011.77
    DMS 426.78
    cumene 164.49
    2-octanol 153.09
    2-hexanone 1089.66
    octyl acetate 229.69
    limonene 304.5
    1,2-dimethoxyethane 1428.66
    ethyl orthosilicate 228.2
    tributyl phosphate 163.78
    diacetone alcohol 744.71
    N,N-dimethylaniline 296.41
    acrylonitrile 996.01
    aniline 655.53
    1,3-propanediol 680.27
    bromobenzene 721.44
    dibromomethane 1952.93
    1,1,2,2-tetrachloroethane 2092.05
    2-methyl-cyclohexyl acetate 395.36
    tetrabutyl urea 215.6
    diisobutyl methanol 276.29
    2-phenylethanol 429.19
    styrene 414.54
    dioctyl adipate 278.09
    dimethyl sulfate 384.72
    ethyl butyrate 732.81
    methyl lactate 306.63
    butyl lactate 289.38
    diethyl carbonate 379.75
    propanediol butyl ether 368.77
    triethyl orthoformate 406.69
    p-tert-butyltoluene 151.21
    methyl 4-tert-butylbenzoate 277.93
    morpholine 2336.67
    tert-butylamine 842.13
    n-dodecanol 109.04
    dimethoxymethane 1251.39
    ethylene carbonate 476.63
    cyrene 309.01
    2-ethoxyethyl acetate 612.94
    2-ethylhexyl acetate 645.29
    1,2,4-trichlorobenzene 542.8
    4-methylpyridine 1307.37
    dibutyl ether 610.17
    2,6-dimethyl-4-heptanol 276.29
    DEF 1367.66
    dimethyl isosorbide 696.83
    tetrachloroethylene 1282.48
    eugenol 294.73
    triacetin 422.17
    span 80 370.81
    1,4-butanediol 238.65
    1,1-dichloroethane 1927.74
    2-methyl-1-pentanol 635.49
    methyl formate 428.33
    2-methyl-1-butanol 808.18
    n-decane 47.5
    butyronitrile 1179.7
    3,7-dimethyl-1-octanol 271.81
    1-chlorooctane 205.56
    1-chlorotetradecane 73.01
    n-nonane 51.99
    undecane 33.11
    tert-butylcyclohexane 116.64
    cyclooctane 91.05
    cyclopentanol 752.42
    tetrahydropyran 2563.91
    tert-amyl methyl ether 821.95
    2,5,8-trioxanonane 769.48
    1-hexene 1077.72
    2-isopropoxyethanol 615.32
    2,2,2-trifluoroethanol 146.49
    methyl butyrate 1007.01

    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

Botanical

Name CAS Botanical Proportion
Mandarin (Italy) 8 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Tangerine (USA-Florida) 3 8008-31-9 Citrus reticulata Blanco, cultivar Dansy, fam. Rutaceae 0.01%