Propanal, 3-methoxy-

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  • Identifiers

    CAS number
    2806-84-0

    Molecular formula
    C4H8O2

    SMILES
    COCCC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 79.03%
    Ethereal 76.65%
    Green 61.9%
    Pungent 56.4%
    Fresh 48.33%
    Sharp 47.17%
    Alcoholic 46.4%
    Rummy 45.42%
    Fermented 41.19%
    Winey 39.44%

     

    Flavor
    Pungent 57.55%
    Ethereal 52.74%
    Bitter 49.1%
    Green 48.48%
    Nutty 43.66%
    Alcohol 43.51%
    Musty 43.49%
    Earthy 42.42%
    Vegetable 37.48%
    Ether 37.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    6.67 (neutral)

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    124°C

    Flash point

    • 25.06 ˚C est.

  • Synonyms

    • 2806-84-0
    • Propanal, 3-methoxy-
    • DTXSID70182342
    • RefChem:176262
    • DTXCID80104833
    • OXGJKCALURPRCN-UHFFFAOYSA-N
    • 3-Methoxypropanal
    • 3-METHOXY-PROPIONALDEHYDE
    • 3-methoxypropionaldehyde
    • 3-Mehtoxypropionaldehyde
    • MFCD08704314
    • 3-Methoxy-propionaldehyde (Technical Grade)
    • 3-methoxy propanal
    • 3-Methoxypropanal #
    • 3-methoxy-1-propanal
    • 3-Methoxy-propioldehyde
    • 3-Methoxy propionaldehyde
    • SCHEMBL57049
    • SCHEMBL196965
    • SCHEMBL1553693
    • SCHEMBL2841913
    • SCHEMBL11101252
    • AKOS007930811
    • SB36360
    • EN300-133387
    • G66261
    • 2806-84-0

  • Applications

    Propanal, 3-methoxy- (CAS 2806-84-0) is used primarily as an aroma and flavor intermediate in the fragrance and flavor industries. In perfumery and cosmetics, it can function as a fragrance ingredient or precursor, contributing to specific notes in blends. It is commonly evaluated for use in household products as a scent additive in detergents and cleaners. In industrial manufacturing, it serves as a chemical intermediate for the synthesis of other aroma compounds and specialty chemicals, and may act as a building block in polymer or coatings formulations where odor profiles are important. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 778.57
    methanol 1464.16
    isopropanol 382.89
    water 104.1
    ethyl acetate 234.23
    n-propanol 393.56
    acetone 390.87
    n-butanol 291.43
    acetonitrile 518.0
    DMF 1154.78
    toluene 53.15
    isobutanol 220.58
    1,4-dioxane 461.11
    methyl acetate 353.56
    THF 360.57
    2-butanone 236.34
    n-pentanol 134.91
    sec-butanol 228.22
    n-hexane 9.78
    ethylene glycol 545.08
    NMP 605.19
    cyclohexane 26.3
    DMSO 798.66
    n-butyl acetate 86.48
    n-octanol 48.73
    chloroform 525.44
    n-propyl acetate 86.02
    acetic acid 1132.52
    dichloromethane 523.63
    cyclohexanone 241.01
    propylene glycol 382.38
    isopropyl acetate 80.78
    DMAc 752.03
    2-ethoxyethanol 348.55
    isopentanol 155.49
    n-heptane 13.03
    ethyl formate 264.46
    1,2-dichloroethane 249.39
    n-hexanol 122.28
    2-methoxyethanol 934.23
    isobutyl acetate 44.03
    tetrachloromethane 119.66
    n-pentyl acetate 41.37
    transcutol 495.33
    n-heptanol 43.2
    ethylbenzene 21.46
    MIBK 54.01
    2-propoxyethanol 273.92
    tert-butanol 336.17
    MTBE 125.58
    2-butoxyethanol 113.43
    propionic acid 483.75
    o-xylene 44.33
    formic acid 1023.74
    diethyl ether 153.34
    m-xylene 35.13
    p-xylene 33.18
    chlorobenzene 101.4
    dimethyl carbonate 85.7
    n-octane 3.83
    formamide 831.27
    cyclopentanone 274.7
    2-pentanone 139.54
    anisole 81.24
    cyclopentyl methyl ether 126.11
    gamma-butyrolactone 399.6
    1-methoxy-2-propanol 397.54
    pyridine 356.65
    3-pentanone 106.86
    furfural 483.49
    n-dodecane 3.65
    diethylene glycol 405.31
    diisopropyl ether 23.76
    tert-amyl alcohol 203.94
    acetylacetone 151.88
    n-hexadecane 4.01
    acetophenone 84.2
    methyl propionate 200.02
    isopentyl acetate 60.22
    trichloroethylene 524.38
    n-nonanol 40.98
    cyclohexanol 193.27
    benzyl alcohol 114.63
    2-ethylhexanol 57.65
    isooctanol 30.85
    dipropyl ether 61.28
    1,2-dichlorobenzene 91.55
    ethyl lactate 81.0
    propylene carbonate 189.71
    n-methylformamide 762.92
    2-pentanol 117.09
    n-pentane 14.96
    1-propoxy-2-propanol 160.98
    1-methoxy-2-propyl acetate 99.74
    2-(2-methoxypropoxy) propanol 118.2
    mesitylene 21.58
    ε-caprolactone 211.8
    p-cymene 22.54
    epichlorohydrin 360.19
    1,1,1-trichloroethane 217.28
    2-aminoethanol 595.42
    morpholine-4-carbaldehyde 615.8
    sulfolane 370.28
    2,2,4-trimethylpentane 7.81
    2-methyltetrahydrofuran 236.51
    n-hexyl acetate 60.7
    isooctane 4.21
    2-(2-butoxyethoxy)ethanol 146.55
    sec-butyl acetate 45.45
    tert-butyl acetate 69.34
    decalin 8.44
    glycerin 515.14
    diglyme 289.19
    acrylic acid 539.86
    isopropyl myristate 24.17
    n-butyric acid 414.89
    acetyl acetate 143.08
    di(2-ethylhexyl) phthalate 36.49
    ethyl propionate 79.45
    nitromethane 1153.94
    1,2-diethoxyethane 106.67
    benzonitrile 135.77
    trioctyl phosphate 22.43
    1-bromopropane 117.14
    gamma-valerolactone 465.88
    n-decanol 29.25
    triethyl phosphate 42.21
    4-methyl-2-pentanol 46.95
    propionitrile 261.24
    vinylene carbonate 217.17
    1,1,2-trichlorotrifluoroethane 536.21
    DMS 76.45
    cumene 17.49
    2-octanol 23.61
    2-hexanone 71.55
    octyl acetate 34.87
    limonene 37.84
    1,2-dimethoxyethane 367.27
    ethyl orthosilicate 40.07
    tributyl phosphate 30.25
    diacetone alcohol 139.69
    N,N-dimethylaniline 59.8
    acrylonitrile 407.12
    aniline 173.45
    1,3-propanediol 558.96
    bromobenzene 79.94
    dibromomethane 287.94
    1,1,2,2-tetrachloroethane 354.19
    2-methyl-cyclohexyl acetate 46.33
    tetrabutyl urea 48.19
    diisobutyl methanol 30.44
    2-phenylethanol 85.59
    styrene 35.04
    dioctyl adipate 48.82
    dimethyl sulfate 148.93
    ethyl butyrate 75.81
    methyl lactate 171.42
    butyl lactate 53.94
    diethyl carbonate 54.38
    propanediol butyl ether 125.19
    triethyl orthoformate 53.67
    p-tert-butyltoluene 22.94
    methyl 4-tert-butylbenzoate 67.13
    morpholine 619.29
    tert-butylamine 175.78
    n-dodecanol 22.93
    dimethoxymethane 292.04
    ethylene carbonate 157.94
    cyrene 111.77
    2-ethoxyethyl acetate 77.75
    2-ethylhexyl acetate 45.51
    1,2,4-trichlorobenzene 124.47
    4-methylpyridine 256.13
    dibutyl ether 39.6
    2,6-dimethyl-4-heptanol 30.44
    DEF 296.96
    dimethyl isosorbide 141.17
    tetrachloroethylene 306.16
    eugenol 84.53
    triacetin 88.66
    span 80 99.63
    1,4-butanediol 205.65
    1,1-dichloroethane 248.99
    2-methyl-1-pentanol 84.87
    methyl formate 461.85
    2-methyl-1-butanol 158.48
    n-decane 5.76
    butyronitrile 228.09
    3,7-dimethyl-1-octanol 44.76
    1-chlorooctane 21.64
    1-chlorotetradecane 9.94
    n-nonane 5.49
    undecane 4.37
    tert-butylcyclohexane 8.25
    cyclooctane 6.5
    cyclopentanol 247.68
    tetrahydropyran 271.99
    tert-amyl methyl ether 89.74
    2,5,8-trioxanonane 207.03
    1-hexene 32.78
    2-isopropoxyethanol 160.43
    2,2,2-trifluoroethanol 458.92
    methyl butyrate 121.81

    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