2-Hexenal diethyl acetal, (2E)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    67746-30-9

    Molecular formula
    C10H20O2

    SMILES
    CCC/C=C/C(OCC)OCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1272.0

  • Odor profile

    Green 91.89%
    Fruity 82.72%
    Apple 67.24%
    Fresh 48.6%
    Vegetable 47.66%
    Fatty 43.85%
    Tropical 42.87%
    Herbal 42.36%
    Leafy 37.83%
    Melon 36.3%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 76.00 °C. @ 15.00 mm Hg

    Flash point est.
    60.24 ˚C

    Solubility expt.

    • Soluble in most fixed oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 67746-30-9
    • trans-2-Hexen-1-al diethyl acetal
    • trans-2-Hexenal diethyl acetal
    • 2-Hexene, 1,1-diethoxy-, (2E)-
    • (E)-1,1-Diethoxyhex-2-ene
    • 1,1-Diethoxy-2-hexene
    • trans-2-Hexenal diethylacetal
    • 1,1-Diethoxy-trans-2-hexene
    • (E)-2-hexenal diethyl acetal
    • 2-Hexene, 1,1-diethoxy-, (E)-
    • 1UMD1RAR3Q
    • 2-Hexenal diethyl acetal, (2E)-
    • EINECS 266-989-8
    • 2-Hexene, 1,1-diethoxy-
    • (E)-1,1-Diethoxy-2-hexene
    • trans-2-Hexen-1-alDiethylAcetal
    • (2E)-1,1-DIETHOXYHEX-2-ENE
    • FEMA NO. 4047
    • 2-Hexenal diethyl acetal, predominantly trans
    • 2-Hexenal diethyl acetal, trans
    • (2E)-1,1-Diethoxy-2-hexene
    • DTXSID50886871
    • LEAFALDEHYDE DIETHYL ACETAL
    • (E)-2-HEXENAL DIETHYL ACETAL [FHFI]
    • UNII-1UMD1RAR3Q
    • (2E)-2-hexenal diethyl acetal
    • MFCD00009472
    • Leaf Aldehyde Diethyl Acetal
    • SCHEMBL872768
    • SCHEMBL872769
    • 1,1-Diethoxy-(E)-2-Hexene
    • 1,1-Diethoxy-(2E)-2-Hexene
    • DTXCID20909985
    • CHEBI:179542
    • (2E)-1,1-Diethoxy-2-hexene #
    • AKOS015913081
    • DB-257131
    • DB-257132
    • CS-0204579
    • H0575
    • NS00054779
    • D90907
    • Q27252920
    • (E)-2-Hexenal diethyl acetal 100 microg/mL in Methanol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2882.38
    methanol 2507.0
    isopropanol 2713.9
    water 0.74
    ethyl acetate 2970.99
    n-propanol 2730.21
    acetone 3690.5
    n-butanol 2928.45
    acetonitrile 2813.44
    DMF 2752.71
    toluene 2164.73
    isobutanol 2459.85
    1,4-dioxane 4145.0
    methyl acetate 2134.11
    THF 4874.56
    2-butanone 2657.24
    n-pentanol 2016.82
    sec-butanol 3120.7
    n-hexane 2950.44
    ethylene glycol 388.38
    NMP 3144.13
    cyclohexane 5163.53
    DMSO 3301.25
    n-butyl acetate 3427.99
    n-octanol 1609.27
    chloroform 10981.71
    n-propyl acetate 2011.33
    acetic acid 3195.83
    dichloromethane 9291.72
    cyclohexanone 5034.95
    propylene glycol 642.21
    isopropyl acetate 1862.86
    DMAc 2220.56
    2-ethoxyethanol 1603.44
    isopentanol 2540.78
    n-heptane 1999.31
    ethyl formate 1646.81
    1,2-dichloroethane 5274.77
    n-hexanol 2955.68
    2-methoxyethanol 2320.09
    isobutyl acetate 1270.91
    tetrachloromethane 2686.86
    n-pentyl acetate 1964.12
    transcutol 3698.35
    n-heptanol 1212.95
    ethylbenzene 1317.72
    MIBK 1408.83
    2-propoxyethanol 2254.79
    tert-butanol 3682.11
    MTBE 3621.44
    2-butoxyethanol 1261.71
    propionic acid 2043.85
    o-xylene 1325.9
    formic acid 479.93
    diethyl ether 3930.81
    m-xylene 1319.76
    p-xylene 1794.93
    chlorobenzene 2901.02
    dimethyl carbonate 672.43
    n-octane 643.63
    formamide 605.69
    cyclopentanone 3803.38
    2-pentanone 2632.72
    anisole 1526.32
    cyclopentyl methyl ether 3338.43
    gamma-butyrolactone 3686.3
    1-methoxy-2-propanol 1821.53
    pyridine 4143.07
    3-pentanone 2109.31
    furfural 2733.98
    n-dodecane 374.2
    diethylene glycol 1161.26
    diisopropyl ether 1272.84
    tert-amyl alcohol 3430.38
    acetylacetone 2152.63
    n-hexadecane 430.47
    acetophenone 1380.69
    methyl propionate 1833.27
    isopentyl acetate 2566.86
    trichloroethylene 8392.46
    n-nonanol 1339.97
    cyclohexanol 4312.41
    benzyl alcohol 1251.69
    2-ethylhexanol 2162.8
    isooctanol 1051.74
    dipropyl ether 2908.0
    1,2-dichlorobenzene 2411.91
    ethyl lactate 699.31
    propylene carbonate 2383.63
    n-methylformamide 1342.88
    2-pentanol 2532.77
    n-pentane 2182.38
    1-propoxy-2-propanol 2060.15
    1-methoxy-2-propyl acetate 1567.01
    2-(2-methoxypropoxy) propanol 1073.79
    mesitylene 943.22
    ε-caprolactone 3622.01
    p-cymene 1046.41
    epichlorohydrin 3985.4
    1,1,1-trichloroethane 6309.18
    2-aminoethanol 883.23
    morpholine-4-carbaldehyde 2401.43
    sulfolane 4232.84
    2,2,4-trimethylpentane 734.36
    2-methyltetrahydrofuran 4942.39
    n-hexyl acetate 2603.9
    isooctane 492.18
    2-(2-butoxyethoxy)ethanol 1415.34
    sec-butyl acetate 1364.89
    tert-butyl acetate 1744.16
    decalin 1214.61
    glycerin 720.76
    diglyme 2535.34
    acrylic acid 1565.88
    isopropyl myristate 1058.59
    n-butyric acid 3459.72
    acetyl acetate 1797.18
    di(2-ethylhexyl) phthalate 746.81
    ethyl propionate 1670.02
    nitromethane 3051.71
    1,2-diethoxyethane 2496.94
    benzonitrile 2164.68
    trioctyl phosphate 650.45
    1-bromopropane 4965.37
    gamma-valerolactone 3424.61
    n-decanol 926.52
    triethyl phosphate 881.45
    4-methyl-2-pentanol 1165.95
    propionitrile 2580.43
    vinylene carbonate 2013.01
    1,1,2-trichlorotrifluoroethane 2968.46
    DMS 1283.2
    cumene 871.91
    2-octanol 1143.91
    2-hexanone 2084.22
    octyl acetate 1264.2
    limonene 1930.08
    1,2-dimethoxyethane 2983.64
    ethyl orthosilicate 919.66
    tributyl phosphate 868.55
    diacetone alcohol 1393.75
    N,N-dimethylaniline 1170.88
    acrylonitrile 2308.0
    aniline 1986.2
    1,3-propanediol 1353.2
    bromobenzene 3547.61
    dibromomethane 7346.63
    1,1,2,2-tetrachloroethane 7692.62
    2-methyl-cyclohexyl acetate 1516.01
    tetrabutyl urea 1043.75
    diisobutyl methanol 1111.94
    2-phenylethanol 1280.94
    styrene 1751.22
    dioctyl adipate 1346.6
    dimethyl sulfate 1019.44
    ethyl butyrate 2142.99
    methyl lactate 736.98
    butyl lactate 1128.34
    diethyl carbonate 1357.35
    propanediol butyl ether 1175.49
    triethyl orthoformate 1477.3
    p-tert-butyltoluene 968.22
    methyl 4-tert-butylbenzoate 1223.64
    morpholine 4794.16
    tert-butylamine 3160.89
    n-dodecanol 730.58
    dimethoxymethane 1747.35
    ethylene carbonate 1912.73
    cyrene 894.54
    2-ethoxyethyl acetate 1586.92
    2-ethylhexyl acetate 2172.14
    1,2,4-trichlorobenzene 2568.96
    4-methylpyridine 3963.87
    dibutyl ether 2664.92
    2,6-dimethyl-4-heptanol 1111.94
    DEF 2737.94
    dimethyl isosorbide 1668.14
    tetrachloroethylene 5286.88
    eugenol 993.55
    triacetin 1659.21
    span 80 1328.4
    1,4-butanediol 692.89
    1,1-dichloroethane 6040.84
    2-methyl-1-pentanol 1809.49
    methyl formate 1060.36
    2-methyl-1-butanol 2564.96
    n-decane 712.18
    butyronitrile 3405.57
    3,7-dimethyl-1-octanol 1438.16
    1-chlorooctane 1774.51
    1-chlorotetradecane 670.05
    n-nonane 832.21
    undecane 484.68
    tert-butylcyclohexane 983.98
    cyclooctane 1393.56
    cyclopentanol 3291.09
    tetrahydropyran 6616.13
    tert-amyl methyl ether 2505.26
    2,5,8-trioxanonane 1631.34
    1-hexene 4078.61
    2-isopropoxyethanol 1285.97
    2,2,2-trifluoroethanol 748.17
    methyl butyrate 2405.14

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
trans-2-Hexenal diethyl acetal should not be used as a fragrance ingredient.

Botanical

Name CAS Botanical Proportion
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 4.1%