alpha-Amylcinnamaldehyde diethyl acetal

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  • Identifiers

    Molecular formula
    C18H28O2

    SMILES
    CCCCCC(=CC1=CC=CC=C1)C(OCC)OCC

  • Odor profile

    Fragrance
    Green 77.68%
    Floral 76.7%
    Fruity 71.3%
    Herbal 48.7%
    Jasmin 47.77%
    Sweet 47.31%
    Fresh 38.8%
    Spicy 38.29%
    Balsamic 34.02%
    Tropical 30.88%

     

    Flavor
    Green 57.31%
    Floral 45.24%
    Fruity 40.45%
    Waxy 33.02%
    Tropical 28.67%
    Herbal 27.86%
    Oily 26.43%
    Rose 26.08%
    Earthy 23.8%
    Leaf 22.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    7.38 (neutral)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point

    • 141.09 ˚C est.

  • Synonyms

    • 2-Diethoxymethyl-1-phenylhept-1-ene
    • alpha-Amylcinnamaldehyde diethyl acetal
    • 1,1-Diethoxy-2-amyl-3-phenyl-2-propene
    • EINECS 262-413-4
    • (2-(Diethoxymethyl)-1-heptenyl)benzene
    • 1,1-Diethoxy-2-n-amyl-3-phenylacrolein
    • alpha-Amylcinnamic aldehyde diethyl acetal
    • 1,1-Diethoxy-2-(phenylmethylene) heptane
    • Benzene, (2-(diethoxymethyl)-1-heptenyl)-
    • 3FMP5Z2ZYW
    • alpha-Amylcinnamaldehyde, diethyl acetal
    • DTXSID9069429
    • Heptane, 1,1-diethoxy-2-(phenylmethylene)-
    • Benzene, (2-(diethoxymethyl)-1-hepten-1-yl)-
    • alpha-amyl cinnamaldehyde diethyl acetal
    • Benzene, [2-(diethoxymethyl)-1-heptenyl]-
    • Benzene, [2-(diethoxymethyl)-1-hepten-1-yl]-
    • UNII-3FMP5Z2ZYW
    • SCHEMBL873770
    • DTXCID5042875
    • amyl cinnamaldehyde diethyl acetal
    • MPKOLWUWOADQCX-UHFFFAOYSA-N
    • AKOS024333648
    • Benzene, 2-(diethoxymethyl)-1-heptenyl-
    • NS00011960
    • ALPHA-PENTYLCINNAMALDEHYDE DIETHYL ACETAL
    • .ALPHA.-AMYLCINNAMALDEHYDE DIETHYL ACETAL
    • .ALPHA.-AMYL CINNAMALDEHYDE DIETHYL ACETAL

  • Applications

    alpha-Amylcinnamaldehyde diethyl acetal is primarily used in perfumery as an odorant and fragrance intermediate, contributing a warm, cinnamon-like note and potentially acting as a mild fixative to extend fragrance longevity. It is commonly evaluated for use in cosmetics and personal care products and in household products such as cleaners and air fresheners as a fragrance component. In industrial manufacturing, it can serve as an aroma chemical intermediate for fragrance synthesis and may be incorporated into coatings or inks to impart a spicy note, subject to regulatory and formulation limits. Additionally, as an acetal derivative, it may be used as a protecting group for aldehydes in synthetic organic routes. CAS number:

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1576.39
    methanol 967.51
    isopropanol 1426.56
    water 0.12
    ethyl acetate 6387.35
    n-propanol 1817.04
    acetone 5280.25
    n-butanol 2218.37
    acetonitrile 3207.83
    DMF 3033.86
    toluene 3877.49
    isobutanol 1884.85
    1,4-dioxane 4866.39
    methyl acetate 3468.21
    THF 4822.07
    2-butanone 4264.04
    n-pentanol 1746.25
    sec-butanol 2039.52
    n-hexane 1906.05
    ethylene glycol 92.55
    NMP 3337.34
    cyclohexane 3942.97
    DMSO 3026.53
    n-butyl acetate 4835.43
    n-octanol 1152.37
    chloroform 13510.81
    n-propyl acetate 4041.55
    acetic acid 1795.88
    dichloromethane 15840.02
    cyclohexanone 7084.6
    propylene glycol 202.25
    isopropyl acetate 4039.87
    DMAc 3250.22
    2-ethoxyethanol 1621.23
    isopentanol 2203.55
    n-heptane 1013.99
    ethyl formate 1998.6
    1,2-dichloroethane 10977.98
    n-hexanol 2112.33
    2-methoxyethanol 1637.57
    isobutyl acetate 2296.52
    tetrachloromethane 2349.33
    n-pentyl acetate 2934.09
    transcutol 5658.83
    n-heptanol 975.51
    ethylbenzene 2118.44
    MIBK 2533.31
    2-propoxyethanol 2052.75
    tert-butanol 1992.86
    MTBE 4123.98
    2-butoxyethanol 1412.1
    propionic acid 1436.09
    o-xylene 2033.1
    formic acid 184.77
    diethyl ether 7001.82
    m-xylene 2102.03
    p-xylene 2522.0
    chlorobenzene 4616.45
    dimethyl carbonate 1336.18
    n-octane 388.02
    formamide 403.95
    cyclopentanone 5080.92
    2-pentanone 4874.63
    anisole 2752.68
    cyclopentyl methyl ether 4497.94
    gamma-butyrolactone 4237.33
    1-methoxy-2-propanol 1533.12
    pyridine 5634.96
    3-pentanone 4332.11
    furfural 3159.38
    n-dodecane 209.75
    diethylene glycol 747.52
    diisopropyl ether 2176.01
    tert-amyl alcohol 2163.59
    acetylacetone 4280.96
    n-hexadecane 256.45
    acetophenone 2516.4
    methyl propionate 3506.71
    isopentyl acetate 3647.34
    trichloroethylene 15299.12
    n-nonanol 1045.35
    cyclohexanol 3423.49
    benzyl alcohol 1541.92
    2-ethylhexanol 1760.34
    isooctanol 918.43
    dipropyl ether 3468.64
    1,2-dichlorobenzene 4039.71
    ethyl lactate 893.66
    propylene carbonate 2883.66
    n-methylformamide 1078.59
    2-pentanol 2219.95
    n-pentane 1382.73
    1-propoxy-2-propanol 1897.17
    1-methoxy-2-propyl acetate 2560.68
    2-(2-methoxypropoxy) propanol 1114.15
    mesitylene 1382.1
    ε-caprolactone 5032.63
    p-cymene 1112.91
    epichlorohydrin 6690.51
    1,1,1-trichloroethane 8729.95
    2-aminoethanol 316.19
    morpholine-4-carbaldehyde 2883.46
    sulfolane 4293.47
    2,2,4-trimethylpentane 524.65
    2-methyltetrahydrofuran 5302.83
    n-hexyl acetate 3508.17
    isooctane 369.24
    2-(2-butoxyethoxy)ethanol 1589.01
    sec-butyl acetate 2712.92
    tert-butyl acetate 3221.74
    decalin 1036.11
    glycerin 249.89
    diglyme 3632.94
    acrylic acid 1012.22
    isopropyl myristate 1258.74
    n-butyric acid 3349.79
    acetyl acetate 3555.34
    di(2-ethylhexyl) phthalate 756.1
    ethyl propionate 3623.11
    nitromethane 3221.23
    1,2-diethoxyethane 4249.86
    benzonitrile 2587.88
    trioctyl phosphate 627.12
    1-bromopropane 7710.08
    gamma-valerolactone 4653.72
    n-decanol 686.75
    triethyl phosphate 1096.11
    4-methyl-2-pentanol 1100.63
    propionitrile 2846.24
    vinylene carbonate 2468.03
    1,1,2-trichlorotrifluoroethane 3067.35
    DMS 2140.8
    cumene 1179.72
    2-octanol 859.64
    2-hexanone 3351.79
    octyl acetate 1472.62
    limonene 1944.81
    1,2-dimethoxyethane 3665.33
    ethyl orthosilicate 1126.04
    tributyl phosphate 891.44
    diacetone alcohol 1848.76
    N,N-dimethylaniline 1729.76
    acrylonitrile 2355.46
    aniline 2603.38
    1,3-propanediol 711.27
    bromobenzene 6246.25
    dibromomethane 10996.27
    1,1,2,2-tetrachloroethane 12052.46
    2-methyl-cyclohexyl acetate 1892.59
    tetrabutyl urea 1162.94
    diisobutyl methanol 934.34
    2-phenylethanol 1510.18
    styrene 2946.73
    dioctyl adipate 1548.16
    dimethyl sulfate 1457.77
    ethyl butyrate 3357.13
    methyl lactate 752.82
    butyl lactate 1414.15
    diethyl carbonate 1990.05
    propanediol butyl ether 946.7
    triethyl orthoformate 1843.78
    p-tert-butyltoluene 938.74
    methyl 4-tert-butylbenzoate 1584.84
    morpholine 5283.7
    tert-butylamine 1656.87
    n-dodecanol 528.16
    dimethoxymethane 2930.7
    ethylene carbonate 2441.95
    cyrene 983.87
    2-ethoxyethyl acetate 3020.32
    2-ethylhexyl acetate 3041.38
    1,2,4-trichlorobenzene 4095.34
    4-methylpyridine 5884.84
    dibutyl ether 3047.87
    2,6-dimethyl-4-heptanol 934.34
    DEF 5066.46
    dimethyl isosorbide 1850.65
    tetrachloroethylene 7642.58
    eugenol 1274.52
    triacetin 2271.12
    span 80 1170.97
    1,4-butanediol 381.58
    1,1-dichloroethane 9466.56
    2-methyl-1-pentanol 1851.71
    methyl formate 963.76
    2-methyl-1-butanol 2369.84
    n-decane 440.11
    butyronitrile 3945.85
    3,7-dimethyl-1-octanol 1210.45
    1-chlorooctane 1683.84
    1-chlorotetradecane 544.13
    n-nonane 478.85
    undecane 281.99
    tert-butylcyclohexane 754.8
    cyclooctane 1065.92
    cyclopentanol 2043.02
    tetrahydropyran 8224.32
    tert-amyl methyl ether 2970.4
    2,5,8-trioxanonane 1911.0
    1-hexene 3934.14
    2-isopropoxyethanol 1460.69
    2,2,2-trifluoroethanol 510.78
    methyl butyrate 4696.08

    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