Ethyl Butylacetylaminopropionate

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  • Identifiers

    CAS number
    52304-36-6

    Molecular formula
    C11H21NO3

    SMILES
    CCCCN(CCC(=O)OCC)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 63.7%
    Herbal 37.33%
    Sweet 33.7%
    Fresh 31.84%
    Grape 29.93%
    Mint 27.04%
    Oily 25.22%
    Floral 23.73%
    Cooling 23.63%
    Tropical 22.29%

     

    Flavor
    Fruity 72.45%
    Berry 32.73%
    Tropical 30.6%
    Pineapple 29.29%
    Grape 29.09%
    Mild 25.75%
    Cheese 25.43%
    Sweet 22.24%
    Wine 22.17%
    Overripe fruit 21.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.95 (neutral)

    Molecular weight
    215.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • Less than -20 °C

    Boiling point

    • BP: 108-110 °C at 0.2 mm Hg; 126-127 °C at 0.5 mm Hg

    Flash point

    • 128.14 ˚C est.

    Solubility expt.

    • In water, 7.0X10+4 mg/L at 20 °C
    • Soluble in n-heptane, dichloromethane, ethyl acetate, p-xylene, acetone, methanol

  • Synonyms

    • 52304-36-6
    • Ethyl butylacetylaminopropionate
    • ethyl 3-(N-butylacetamido)propanoate
    • Quwenzhi
    • Repellent 3535
    • Insect repellent M 3535
    • Ethyl 3-(N-butylacetamido)propionate
    • EBAAP
    • BAAPE
    • Ethyl N-acetyl-N-butyl-beta-alaninate
    • Merck 3535
    • N-Acetyl-N-butyl-beta-alanine ethyl ester
    • UNII-65GQA237EH
    • 65GQA237EH
    • EINECS 257-835-0
    • EUS 26-15
    • N-Acetyl-N-butyl-beta-alanine, ethyl ester
    • INSECT REPELLENT 3535
    • AI 3-70763
    • DTXSID9035753
    • Ethyl-3-(N-n-butyl-N-acetyl)aminopropionate
    • CHEBI:81991
    • HSDB 8318
    • 3-(N-butyl-N-acetyl)-aminopropionic acid ethyl ester
    • IR-3535
    • ETHYL-3-(N-BUTYLACETAMIDO)PROPIONATE
    • N-Acetyl-N-butyl-.beta.-alanine ethyl ester
    • beta-alanine, N-acetyl-N-butyl-, ethyl ester
    • 3-(N-n-Butyl-N-acetyl)aminopropionic acid ethyl ester
    • Ethyl butylacetylaminopropionate (JAN)
    • IR3535
    • ETHYL BUTYLACETYLAMINOPROPIONATE [JAN]
    • IR 3535
    • Aquax Repellent
    • MFCD00214076
    • Ethyl 3-
    • ethyl 3-[acetyl(butyl)amino]propanoate
    • SCHEMBL16475
    • 3-[N-n-Butyl-N-acetyl]aminopropionic acid-ethyl ester
    • Nb[n-N-butyl-N-acetyl]aminopropionic acid ethyl ester
    • CHEMBL2230259
    • DTXCID7015753
    • DTXCID30164301
    • DTXSID00241810
    • VZRKEAFHFMSHCD-UHFFFAOYSA-N
    • Tox21_301772
    • AKOS015914988
    • DS-3340
    • NCGC00255638-01
    • Ethyl butylacetylaminopropionate [WHO-DD]
    • FN149896
    • ethyl 3-(n-acetyl-n-butylamino)propionate
    • CAS-52304-36-6
    • CS-0152121
    • ETHYL BUTYLACETYLAMINOPROPIONATE [MI]
    • NS00008005
    • C18830
    • D11818
    • D97457
    • IR3535 (Ethyl 3-(N-utylacetamido)propanoate)
    • Q5973365
    • Ethyl butylacetylaminopropionate, PESTANAL(R), analytical standard
    • 257-835-0

  • Applications

    Ethyl Butylacetylaminopropionate (CAS 52304-36-6) is commonly used in the fragrance industry as a fixative and aroma modifier to extend and stabilize fragrance notes. It is typically employed as a fragrance ingredient in cosmetics and personal care products such as lotions, creams, shampoos, and fragrance sprays. It also serves as a fragrance component in household products and cleaners, including air fresheners and cleaning products, to impart a stable odor. In industrial fragrance manufacturing, it may be evaluated as an intermediate or blending component in fragrance synthesis. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 901.88
    methanol 1687.92
    isopropanol 553.72
    water 11.57
    ethyl acetate 606.43
    n-propanol 537.14
    acetone 1244.63
    n-butanol 427.64
    acetonitrile 872.3
    DMF 2211.13
    toluene 230.48
    isobutanol 398.79
    1,4-dioxane 697.53
    methyl acetate 592.63
    THF 1108.16
    2-butanone 677.32
    n-pentanol 271.63
    sec-butanol 424.5
    n-hexane 11.02
    ethylene glycol 261.09
    NMP 2644.0
    cyclohexane 20.4
    DMSO 2357.08
    n-butyl acetate 272.11
    n-octanol 62.92
    chloroform 1566.96
    n-propyl acetate 246.96
    acetic acid 2766.41
    dichloromethane 1608.55
    cyclohexanone 1298.49
    propylene glycol 348.79
    isopropyl acetate 364.52
    DMAc 2104.49
    2-ethoxyethanol 524.54
    isopentanol 360.75
    n-heptane 3.51
    ethyl formate 498.65
    1,2-dichloroethane 867.14
    n-hexanol 145.21
    2-methoxyethanol 1097.87
    isobutyl acetate 167.82
    tetrachloromethane 139.51
    n-pentyl acetate 155.13
    transcutol 1407.25
    n-heptanol 53.62
    ethylbenzene 101.92
    MIBK 264.95
    2-propoxyethanol 386.43
    tert-butanol 616.31
    MTBE 338.1
    2-butoxyethanol 183.16
    propionic acid 949.41
    o-xylene 172.97
    formic acid 1280.87
    diethyl ether 238.59
    m-xylene 161.54
    p-xylene 160.78
    chlorobenzene 475.07
    dimethyl carbonate 244.63
    n-octane 2.03
    formamide 1374.52
    cyclopentanone 1429.48
    2-pentanone 508.2
    anisole 271.26
    cyclopentyl methyl ether 499.5
    gamma-butyrolactone 1855.33
    1-methoxy-2-propanol 662.99
    pyridine 885.01
    3-pentanone 358.05
    furfural 1663.69
    n-dodecane 2.44
    diethylene glycol 386.86
    diisopropyl ether 57.08
    tert-amyl alcohol 477.91
    acetylacetone 788.5
    n-hexadecane 2.9
    acetophenone 356.89
    methyl propionate 488.48
    isopentyl acetate 258.81
    trichloroethylene 2032.67
    n-nonanol 57.49
    cyclohexanol 506.48
    benzyl alcohol 365.82
    2-ethylhexanol 81.31
    isooctanol 49.14
    dipropyl ether 62.87
    1,2-dichlorobenzene 431.55
    ethyl lactate 153.84
    propylene carbonate 857.16
    n-methylformamide 1109.87
    2-pentanol 215.08
    n-pentane 8.87
    1-propoxy-2-propanol 233.29
    1-methoxy-2-propyl acetate 305.87
    2-(2-methoxypropoxy) propanol 258.65
    mesitylene 78.67
    ε-caprolactone 1127.22
    p-cymene 50.99
    epichlorohydrin 1504.45
    1,1,1-trichloroethane 704.34
    2-aminoethanol 506.87
    morpholine-4-carbaldehyde 1525.63
    sulfolane 2223.59
    2,2,4-trimethylpentane 12.1
    2-methyltetrahydrofuran 822.12
    n-hexyl acetate 229.74
    isooctane 6.37
    2-(2-butoxyethoxy)ethanol 324.32
    sec-butyl acetate 185.65
    tert-butyl acetate 352.14
    decalin 17.66
    glycerin 510.16
    diglyme 618.43
    acrylic acid 959.35
    isopropyl myristate 65.08
    n-butyric acid 1064.19
    acetyl acetate 552.97
    di(2-ethylhexyl) phthalate 112.18
    ethyl propionate 235.2
    nitromethane 3241.15
    1,2-diethoxyethane 238.28
    benzonitrile 508.09
    trioctyl phosphate 59.72
    1-bromopropane 313.46
    gamma-valerolactone 1975.32
    n-decanol 39.12
    triethyl phosphate 110.97
    4-methyl-2-pentanol 109.74
    propionitrile 465.55
    vinylene carbonate 853.02
    1,1,2-trichlorotrifluoroethane 1290.33
    DMS 293.44
    cumene 72.76
    2-octanol 40.28
    2-hexanone 248.47
    octyl acetate 89.25
    limonene 78.58
    1,2-dimethoxyethane 701.36
    ethyl orthosilicate 97.62
    tributyl phosphate 101.43
    diacetone alcohol 445.37
    N,N-dimethylaniline 191.51
    acrylonitrile 729.35
    aniline 509.12
    1,3-propanediol 599.87
    bromobenzene 446.92
    dibromomethane 827.75
    1,1,2,2-tetrachloroethane 1443.55
    2-methyl-cyclohexyl acetate 166.68
    tetrabutyl urea 131.4
    diisobutyl methanol 45.29
    2-phenylethanol 202.43
    styrene 146.84
    dioctyl adipate 143.14
    dimethyl sulfate 600.6
    ethyl butyrate 174.06
    methyl lactate 304.86
    butyl lactate 179.09
    diethyl carbonate 138.49
    propanediol butyl ether 256.49
    triethyl orthoformate 124.4
    p-tert-butyltoluene 45.86
    methyl 4-tert-butylbenzoate 226.4
    morpholine 1054.93
    tert-butylamine 275.51
    n-dodecanol 27.46
    dimethoxymethane 503.96
    ethylene carbonate 628.79
    cyrene 345.86
    2-ethoxyethyl acetate 266.93
    2-ethylhexyl acetate 187.55
    1,2,4-trichlorobenzene 555.88
    4-methylpyridine 1105.61
    dibutyl ether 78.4
    2,6-dimethyl-4-heptanol 45.29
    DEF 813.42
    dimethyl isosorbide 456.92
    tetrachloroethylene 848.37
    eugenol 223.72
    triacetin 310.73
    span 80 215.56
    1,4-butanediol 223.68
    1,1-dichloroethane 821.33
    2-methyl-1-pentanol 265.11
    methyl formate 765.64
    2-methyl-1-butanol 383.27
    n-decane 3.96
    butyronitrile 488.7
    3,7-dimethyl-1-octanol 76.07
    1-chlorooctane 33.74
    1-chlorotetradecane 12.24
    n-nonane 3.45
    undecane 2.95
    tert-butylcyclohexane 15.0
    cyclooctane 5.21
    cyclopentanol 577.72
    tetrahydropyran 591.76
    tert-amyl methyl ether 252.76
    2,5,8-trioxanonane 425.59
    1-hexene 67.33
    2-isopropoxyethanol 286.39
    2,2,2-trifluoroethanol 730.9
    methyl butyrate 367.83

    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