Propyl 3-methoxypropanoate

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  • Identifiers

    CAS number
    5349-56-4

    Molecular formula
    C7H14O3

    SMILES
    CCCOC(=O)CCOC

  • Odor profile

    Fragrance
    Fruity 91.57%
    Ethereal 67.69%
    Sweet 60.25%
    Apple 56.67%
    Winey 50.48%
    Rummy 42.35%
    Pineapple 40.4%
    Fresh 38.72%
    Green 36.1%
    Banana 33.45%

     

    Flavor
    Fruity 85.49%
    Sweet 76.55%
    Pineapple 61.9%
    Apple 50.62%
    Green 50.23%
    Bitter 47.48%
    Fruit 46.79%
    Banana 44.29%
    Rum 37.82%
    Ether 37.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.58 (neutral)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    178°C

    Flash point

    • 55.57 ˚C est.

  • Synonyms

    • propyl 3-methoxypropanoate
    • 5349-56-4
    • NSC-1257
    • NSC1257
    • propyl 3-methoxypropionate
    • 3R2JZF4PL7
    • SCHEMBL141329
    • DTXSID60277231
    • NSC 1257
    • 3-methoxy-propanoic acid propyl ester
    • AKOS011882401
    • Propanoic acid, 3-methoxy-, propyl ester
    • 3-METHOXYPROPIONIC ACID, PROPYL ESTER
    • PROPIONIC ACID, 3-METHOXY-, PROPYL ESTER

  • Applications

    Propyl 3-methoxypropanoate (CAS 5349-56-4) is an ester that is frequently used as a fragrance ingredient and solvent in cosmetics and perfumery; it is also employed as a processing solvent or co-solvent for coatings, inks, and cleaning formulations; it can act as a plasticizer for certain polymers; it serves as an intermediate in organic synthesis to prepare aroma-related or specialty chemicals; it may be used as a solvent component in cosmetic formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2058.22
    methanol 3499.17
    isopropanol 1446.58
    water 18.43
    ethyl acetate 480.38
    n-propanol 1219.84
    acetone 1018.79
    n-butanol 982.89
    acetonitrile 944.07
    DMF 2011.59
    toluene 266.81
    isobutanol 801.69
    1,4-dioxane 1202.39
    methyl acetate 634.76
    THF 1050.01
    2-butanone 605.32
    n-pentanol 544.14
    sec-butanol 934.3
    n-hexane 65.86
    ethylene glycol 811.41
    NMP 1124.92
    cyclohexane 151.84
    DMSO 1706.87
    n-butyl acetate 278.81
    n-octanol 202.56
    chloroform 2145.35
    n-propyl acetate 251.88
    acetic acid 2350.23
    dichloromethane 1719.98
    cyclohexanone 813.32
    propylene glycol 856.81
    isopropyl acetate 245.32
    DMAc 1426.06
    2-ethoxyethanol 856.99
    isopentanol 623.59
    n-heptane 41.44
    ethyl formate 540.25
    1,2-dichloroethane 832.19
    n-hexanol 432.67
    2-methoxyethanol 1829.55
    isobutyl acetate 159.55
    tetrachloromethane 338.08
    n-pentyl acetate 178.15
    transcutol 1137.49
    n-heptanol 165.03
    ethylbenzene 142.25
    MIBK 214.03
    2-propoxyethanol 674.66
    tert-butanol 1375.12
    MTBE 574.98
    2-butoxyethanol 324.61
    propionic acid 1023.9
    o-xylene 191.02
    formic acid 1101.33
    diethyl ether 442.95
    m-xylene 175.88
    p-xylene 205.76
    chlorobenzene 419.38
    dimethyl carbonate 183.67
    n-octane 16.69
    formamide 920.61
    cyclopentanone 766.24
    2-pentanone 381.02
    anisole 311.46
    cyclopentyl methyl ether 429.36
    gamma-butyrolactone 860.84
    1-methoxy-2-propanol 1011.65
    pyridine 984.71
    3-pentanone 278.05
    furfural 1049.3
    n-dodecane 16.54
    diethylene glycol 736.89
    diisopropyl ether 92.15
    tert-amyl alcohol 951.07
    acetylacetone 404.97
    n-hexadecane 18.5
    acetophenone 309.26
    methyl propionate 397.27
    isopentyl acetate 240.83
    trichloroethylene 1700.05
    n-nonanol 162.78
    cyclohexanol 811.08
    benzyl alcohol 403.89
    2-ethylhexanol 223.63
    isooctanol 131.23
    dipropyl ether 176.01
    1,2-dichlorobenzene 380.04
    ethyl lactate 212.83
    propylene carbonate 520.37
    n-methylformamide 1054.33
    2-pentanol 485.29
    n-pentane 75.28
    1-propoxy-2-propanol 434.86
    1-methoxy-2-propyl acetate 264.06
    2-(2-methoxypropoxy) propanol 339.96
    mesitylene 110.23
    ε-caprolactone 661.48
    p-cymene 96.33
    epichlorohydrin 934.07
    1,1,1-trichloroethane 848.22
    2-aminoethanol 1131.96
    morpholine-4-carbaldehyde 1141.4
    sulfolane 1011.97
    2,2,4-trimethylpentane 42.19
    2-methyltetrahydrofuran 784.33
    n-hexyl acetate 275.53
    isooctane 24.24
    2-(2-butoxyethoxy)ethanol 431.66
    sec-butyl acetate 168.55
    tert-butyl acetate 241.35
    decalin 55.74
    glycerin 980.7
    diglyme 753.63
    acrylic acid 977.28
    isopropyl myristate 103.99
    n-butyric acid 1060.97
    acetyl acetate 342.6
    di(2-ethylhexyl) phthalate 148.94
    ethyl propionate 224.08
    nitromethane 1705.5
    1,2-diethoxyethane 307.66
    benzonitrile 512.93
    trioctyl phosphate 99.76
    1-bromopropane 506.65
    gamma-valerolactone 1045.92
    n-decanol 113.98
    triethyl phosphate 126.09
    4-methyl-2-pentanol 210.47
    propionitrile 633.0
    vinylene carbonate 570.47
    1,1,2-trichlorotrifluoroethane 1210.58
    DMS 217.76
    cumene 97.99
    2-octanol 119.18
    2-hexanone 269.34
    octyl acetate 142.17
    limonene 156.38
    1,2-dimethoxyethane 1061.06
    ethyl orthosilicate 119.62
    tributyl phosphate 123.1
    diacetone alcohol 397.99
    N,N-dimethylaniline 232.1
    acrylonitrile 822.66
    aniline 521.98
    1,3-propanediol 1238.57
    bromobenzene 397.93
    dibromomethane 1076.22
    1,1,2,2-tetrachloroethane 1419.25
    2-methyl-cyclohexyl acetate 175.29
    tetrabutyl urea 171.4
    diisobutyl methanol 126.06
    2-phenylethanol 289.43
    styrene 204.67
    dioctyl adipate 189.45
    dimethyl sulfate 318.93
    ethyl butyrate 205.75
    methyl lactate 342.71
    butyl lactate 195.11
    diethyl carbonate 168.73
    propanediol butyl ether 388.06
    triethyl orthoformate 160.97
    p-tert-butyltoluene 93.89
    methyl 4-tert-butylbenzoate 249.78
    morpholine 1644.98
    tert-butylamine 784.77
    n-dodecanol 88.69
    dimethoxymethane 633.77
    ethylene carbonate 431.29
    cyrene 332.76
    2-ethoxyethyl acetate 239.0
    2-ethylhexyl acetate 184.24
    1,2,4-trichlorobenzene 456.07
    4-methylpyridine 886.95
    dibutyl ether 166.01
    2,6-dimethyl-4-heptanol 126.06
    DEF 677.77
    dimethyl isosorbide 400.07
    tetrachloroethylene 978.0
    eugenol 284.46
    triacetin 294.85
    span 80 331.88
    1,4-butanediol 523.86
    1,1-dichloroethane 975.91
    2-methyl-1-pentanol 407.94
    methyl formate 710.47
    2-methyl-1-butanol 631.81
    n-decane 26.45
    butyronitrile 739.46
    3,7-dimethyl-1-octanol 192.32
    1-chlorooctane 104.69
    1-chlorotetradecane 45.0
    n-nonane 26.5
    undecane 19.84
    tert-butylcyclohexane 50.16
    cyclooctane 35.27
    cyclopentanol 832.59
    tetrahydropyran 987.15
    tert-amyl methyl ether 380.97
    2,5,8-trioxanonane 539.85
    1-hexene 224.8
    2-isopropoxyethanol 464.18
    2,2,2-trifluoroethanol 620.86
    methyl butyrate 367.95

    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