Propanal, 3-ethoxy-

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  • Identifiers

    CAS number
    2806-85-1

    Molecular formula
    C5H10O2

    SMILES
    CCOCCC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 81.17%
    Ethereal 75.24%
    Green 56.66%
    Pungent 54.57%
    Alcoholic 45.42%
    Sharp 44.43%
    Rummy 44.01%
    Fresh 41.83%
    Fermented 41.65%
    Sweet 40.46%

     

    Flavor
    Green 51.58%
    Ethereal 50.45%
    Earthy 47.22%
    Pungent 46.15%
    Vegetable 44.1%
    Sweet 42.76%
    Musty 40.47%
    Alcohol 40.13%
    Nutty 39.41%
    Fruity 38.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    7.24 (neutral)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    136°C

    Flash point

    • 36.63 ˚C est.

  • Synonyms

    • 3-ETHOXYPROPANAL
    • 3-Ethoxypropionaldehyde
    • 2806-85-1
    • Propanal, 3-ethoxy-
    • beta-Ethoxypropionaldehyde
    • Propionaldehyde, 3-ethoxy-
    • EINECS 220-546-5
    • NSC 46579
    • BRN 1742109
    • DTXSID40950772
    • 4-01-00-03969 (Beilstein Handbook Reference)
    • RefChem:868705
    • Propanal, 3-ethoxy-(9CI)
    • DTXCID001378917
    • 220-546-5
    • 63918-98-9
    • Propionaldehyde, ethoxy-
    • NSC46579
    • NSC-46579
    • .beta.-Ethoxypropionaldehyde
    • WLN: VH2O2
    • SCHEMBL458875
    • SCHEMBL1146009
    • SCHEMBL3230033
    • SCHEMBL8862245
    • SCHEMBL11131392
    • SCHEMBL23566446
    • SCHEMBL27278033
    • MFCD01696143
    • AKOS000281204
    • SY224831
    • DS-012261
    • CS-0237962
    • NS00047972
    • EN300-188492
    • 2806-85-1

  • Applications

    Propanal, 3-ethoxy- is an organic synthesis intermediate with broad industrial relevance: it serves as a building block for fragrance and flavor chemistry and is used to develop esters and other aroma compounds; it is evaluated and used as an intermediate in cosmetics and personal care products; in industrial manufacturing it often acts as a precursor for the synthesis of other organic chemicals; in coatings/inks and specialty plastics it can function as a reactive aldehyde building block for crosslinking and resin formation; CAS 2806-85-1.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 567.99
    methanol 845.98
    isopropanol 326.47
    water 11.02
    ethyl acetate 393.92
    n-propanol 325.28
    acetone 682.02
    n-butanol 295.72
    acetonitrile 632.33
    DMF 808.82
    toluene 93.63
    isobutanol 204.25
    1,4-dioxane 616.53
    methyl acetate 419.76
    THF 781.39
    2-butanone 389.05
    n-pentanol 154.78
    sec-butanol 219.41
    n-hexane 29.84
    ethylene glycol 233.12
    NMP 911.94
    cyclohexane 65.01
    DMSO 1251.86
    n-butyl acetate 229.13
    n-octanol 84.99
    chloroform 873.25
    n-propyl acetate 181.51
    acetic acid 1095.5
    dichloromethane 1036.29
    cyclohexanone 623.5
    propylene glycol 198.17
    isopropyl acetate 175.55
    DMAc 604.9
    2-ethoxyethanol 297.11
    isopentanol 198.66
    n-heptane 32.27
    ethyl formate 296.7
    1,2-dichloroethane 519.39
    n-hexanol 167.24
    2-methoxyethanol 667.52
    isobutyl acetate 100.79
    tetrachloromethane 166.46
    n-pentyl acetate 111.01
    transcutol 995.77
    n-heptanol 60.38
    ethylbenzene 49.65
    MIBK 118.57
    2-propoxyethanol 326.47
    tert-butanol 337.61
    MTBE 200.42
    2-butoxyethanol 143.55
    propionic acid 472.97
    o-xylene 73.85
    formic acid 423.22
    diethyl ether 263.37
    m-xylene 67.91
    p-xylene 71.47
    chlorobenzene 203.18
    dimethyl carbonate 105.64
    n-octane 10.23
    formamide 467.18
    cyclopentanone 731.87
    2-pentanone 266.81
    anisole 146.63
    cyclopentyl methyl ether 292.99
    gamma-butyrolactone 870.24
    1-methoxy-2-propanol 356.5
    pyridine 493.31
    3-pentanone 204.77
    furfural 757.32
    n-dodecane 9.51
    diethylene glycol 358.01
    diisopropyl ether 54.5
    tert-amyl alcohol 228.95
    acetylacetone 358.42
    n-hexadecane 10.55
    acetophenone 150.56
    methyl propionate 278.94
    isopentyl acetate 169.17
    trichloroethylene 985.18
    n-nonanol 70.28
    cyclohexanol 278.25
    benzyl alcohol 149.67
    2-ethylhexanol 98.09
    isooctanol 48.47
    dipropyl ether 128.02
    1,2-dichlorobenzene 199.56
    ethyl lactate 105.19
    propylene carbonate 400.53
    n-methylformamide 512.23
    2-pentanol 150.97
    n-pentane 31.65
    1-propoxy-2-propanol 212.03
    1-methoxy-2-propyl acetate 209.43
    2-(2-methoxypropoxy) propanol 198.35
    mesitylene 44.36
    ε-caprolactone 504.91
    p-cymene 50.22
    epichlorohydrin 707.68
    1,1,1-trichloroethane 464.71
    2-aminoethanol 301.19
    morpholine-4-carbaldehyde 719.36
    sulfolane 933.79
    2,2,4-trimethylpentane 16.66
    2-methyltetrahydrofuran 593.75
    n-hexyl acetate 176.56
    isooctane 9.62
    2-(2-butoxyethoxy)ethanol 246.52
    sec-butyl acetate 110.83
    tert-butyl acetate 158.52
    decalin 25.32
    glycerin 297.19
    diglyme 476.55
    acrylic acid 451.67
    isopropyl myristate 65.45
    n-butyric acid 533.03
    acetyl acetate 282.03
    di(2-ethylhexyl) phthalate 79.97
    ethyl propionate 167.98
    nitromethane 1271.62
    1,2-diethoxyethane 267.36
    benzonitrile 227.92
    trioctyl phosphate 52.34
    1-bromopropane 250.48
    gamma-valerolactone 828.82
    n-decanol 51.21
    triethyl phosphate 88.06
    4-methyl-2-pentanol 67.64
    propionitrile 344.04
    vinylene carbonate 363.2
    1,1,2-trichlorotrifluoroethane 606.76
    DMS 177.8
    cumene 40.1
    2-octanol 44.74
    2-hexanone 159.27
    octyl acetate 83.16
    limonene 86.7
    1,2-dimethoxyethane 439.02
    ethyl orthosilicate 80.38
    tributyl phosphate 78.45
    diacetone alcohol 204.66
    N,N-dimethylaniline 95.84
    acrylonitrile 466.32
    aniline 201.58
    1,3-propanediol 360.64
    bromobenzene 202.64
    dibromomethane 577.72
    1,1,2,2-tetrachloroethane 635.52
    2-methyl-cyclohexyl acetate 118.09
    tetrabutyl urea 104.11
    diisobutyl methanol 58.98
    2-phenylethanol 130.29
    styrene 72.68
    dioctyl adipate 123.09
    dimethyl sulfate 216.95
    ethyl butyrate 175.45
    methyl lactate 165.54
    butyl lactate 109.31
    diethyl carbonate 121.26
    propanediol butyl ether 175.14
    triethyl orthoformate 117.46
    p-tert-butyltoluene 47.04
    methyl 4-tert-butylbenzoate 128.8
    morpholine 748.89
    tert-butylamine 199.37
    n-dodecanol 40.38
    dimethoxymethane 300.45
    ethylene carbonate 300.36
    cyrene 182.41
    2-ethoxyethyl acetate 176.87
    2-ethylhexyl acetate 129.45
    1,2,4-trichlorobenzene 247.6
    4-methylpyridine 376.78
    dibutyl ether 117.92
    2,6-dimethyl-4-heptanol 58.98
    DEF 395.95
    dimethyl isosorbide 319.9
    tetrachloroethylene 464.08
    eugenol 137.95
    triacetin 212.45
    span 80 179.77
    1,4-butanediol 131.51
    1,1-dichloroethane 483.9
    2-methyl-1-pentanol 128.22
    methyl formate 372.66
    2-methyl-1-butanol 193.54
    n-decane 15.56
    butyronitrile 327.36
    3,7-dimethyl-1-octanol 91.52
    1-chlorooctane 58.61
    1-chlorotetradecane 24.99
    n-nonane 16.04
    undecane 11.71
    tert-butylcyclohexane 21.95
    cyclooctane 17.17
    cyclopentanol 351.03
    tetrahydropyran 537.18
    tert-amyl methyl ether 150.07
    2,5,8-trioxanonane 355.51
    1-hexene 85.85
    2-isopropoxyethanol 168.12
    2,2,2-trifluoroethanol 292.28
    methyl butyrate 246.4

    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