Propyl crotonate

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  • Identifiers

    CAS number
    10352-87-1

    Molecular formula
    C7H12O2

    SMILES
    CCCOC(=O)/C=C/C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.58%
    Apple 64.12%
    Sweet 57.42%
    Ethereal 54.94%
    Green 53.86%
    Caramellic 52.25%
    Rummy 51.9%
    Chamomile 49.43%
    Pineapple 48.05%
    Pungent 46.03%

     

    Flavor
    Fruity 36.86%
    Pungent 31.06%
    Ethereal 23.62%
    Sweet 21.53%
    Green 21.2%
    Tropical 19.91%
    Caramel 19.7%
    Sharp 19.68%
    Spicy 18.58%
    Cucumber skin 18.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.14 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 35.85 ˚C est.

  • Synonyms

    • Propyl crotonate
    • 10352-87-1
    • 2-Butenoic acid, propyl ester
    • Propyl 2-butenoate
    • propyl (E)-but-2-enoate
    • Crotonic acid, propyl ester
    • EINECS 233-768-2
    • (E)-2-Butenoic acid propyl ester
    • 2-Butenoic acid, propylester
    • AI3-06127
    • NSC 406701
    • Propylcrotonat
    • Propyl trans-crotonate
    • SCHEMBL182848
    • SCHEMBL182849
    • Propyl (2E)-2-butenoate #
    • CHEMBL3273384
    • DTXSID901032958
    • AKOS006240957
    • DB-266663
    • Q10261809
    • 233-768-2
    • 7726-60-5

  • Applications

    Propyl crotonate (CAS 10352-87-1) is an aliphatic crotonate ester used primarily as an intermediate in organic synthesis and as a solvent or diluent in coatings, inks, and cleaning formulations; it is also evaluated for fragrance and flavor applications as a component in perfumery and flavor systems; it can serve as a plasticizer or processing aid for certain polymers; it is used in cosmetics/personal care as a fragrance ingredient; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2177.22
    methanol 2630.42
    isopropanol 1919.36
    water 3.61
    ethyl acetate 1160.77
    n-propanol 1751.26
    acetone 2070.15
    n-butanol 1652.59
    acetonitrile 1747.76
    DMF 3000.62
    toluene 629.78
    isobutanol 1351.89
    1,4-dioxane 1891.7
    methyl acetate 1219.12
    THF 2204.44
    2-butanone 1459.75
    n-pentanol 1289.49
    sec-butanol 1703.22
    n-hexane 507.97
    ethylene glycol 460.49
    NMP 2200.71
    cyclohexane 661.91
    DMSO 2096.17
    n-butyl acetate 1283.26
    n-octanol 916.16
    chloroform 4242.81
    n-propyl acetate 887.18
    acetic acid 2883.96
    dichloromethane 3600.75
    cyclohexanone 2182.96
    propylene glycol 645.69
    isopropyl acetate 708.7
    DMAc 1842.9
    2-ethoxyethanol 1107.15
    isopentanol 1342.72
    n-heptane 259.08
    ethyl formate 1008.06
    1,2-dichloroethane 2046.29
    n-hexanol 1443.16
    2-methoxyethanol 1799.52
    isobutyl acetate 518.47
    tetrachloromethane 643.22
    n-pentyl acetate 765.03
    transcutol 2529.67
    n-heptanol 630.76
    ethylbenzene 507.15
    MIBK 681.77
    2-propoxyethanol 1405.42
    tert-butanol 2013.5
    MTBE 1265.91
    2-butoxyethanol 799.02
    propionic acid 1629.51
    o-xylene 471.35
    formic acid 703.39
    diethyl ether 1234.13
    m-xylene 439.9
    p-xylene 706.1
    chlorobenzene 1268.58
    dimethyl carbonate 420.91
    n-octane 124.29
    formamide 776.93
    cyclopentanone 2056.0
    2-pentanone 1199.24
    anisole 864.63
    cyclopentyl methyl ether 1169.12
    gamma-butyrolactone 2222.04
    1-methoxy-2-propanol 1353.36
    pyridine 2125.12
    3-pentanone 879.98
    furfural 1959.1
    n-dodecane 111.86
    diethylene glycol 945.32
    diisopropyl ether 368.05
    tert-amyl alcohol 1728.76
    acetylacetone 1021.45
    n-hexadecane 124.54
    acetophenone 852.49
    methyl propionate 940.66
    isopentyl acetate 1016.42
    trichloroethylene 3946.65
    n-nonanol 712.53
    cyclohexanol 1567.31
    benzyl alcohol 784.4
    2-ethylhexanol 829.67
    isooctanol 488.25
    dipropyl ether 717.23
    1,2-dichlorobenzene 1049.05
    ethyl lactate 440.05
    propylene carbonate 1354.58
    n-methylformamide 1475.72
    2-pentanol 1244.81
    n-pentane 384.17
    1-propoxy-2-propanol 1106.46
    1-methoxy-2-propyl acetate 755.47
    2-(2-methoxypropoxy) propanol 755.39
    mesitylene 322.28
    ε-caprolactone 1728.95
    p-cymene 335.09
    epichlorohydrin 2179.92
    1,1,1-trichloroethane 1971.32
    2-aminoethanol 861.59
    morpholine-4-carbaldehyde 1694.16
    sulfolane 2566.53
    2,2,4-trimethylpentane 180.17
    2-methyltetrahydrofuran 1935.77
    n-hexyl acetate 1304.97
    isooctane 140.64
    2-(2-butoxyethoxy)ethanol 999.86
    sec-butyl acetate 549.02
    tert-butyl acetate 726.13
    decalin 263.63
    glycerin 750.52
    diglyme 1639.44
    acrylic acid 1535.45
    isopropyl myristate 443.35
    n-butyric acid 2040.38
    acetyl acetate 721.1
    di(2-ethylhexyl) phthalate 398.6
    ethyl propionate 754.25
    nitromethane 2745.3
    1,2-diethoxyethane 964.28
    benzonitrile 1299.73
    trioctyl phosphate 319.76
    1-bromopropane 1578.92
    gamma-valerolactone 2224.27
    n-decanol 504.13
    triethyl phosphate 362.79
    4-methyl-2-pentanol 603.46
    propionitrile 1458.26
    vinylene carbonate 1363.12
    1,1,2-trichlorotrifluoroethane 1681.21
    DMS 660.94
    cumene 353.22
    2-octanol 562.16
    2-hexanone 1067.65
    octyl acetate 602.61
    limonene 526.02
    1,2-dimethoxyethane 1827.93
    ethyl orthosilicate 353.44
    tributyl phosphate 418.06
    diacetone alcohol 850.79
    N,N-dimethylaniline 631.23
    acrylonitrile 1747.74
    aniline 888.22
    1,3-propanediol 1185.99
    bromobenzene 1337.18
    dibromomethane 2648.37
    1,1,2,2-tetrachloroethane 3143.83
    2-methyl-cyclohexyl acetate 608.0
    tetrabutyl urea 551.92
    diisobutyl methanol 416.11
    2-phenylethanol 765.96
    styrene 718.48
    dioctyl adipate 598.49
    dimethyl sulfate 650.58
    ethyl butyrate 759.93
    methyl lactate 538.97
    butyl lactate 631.81
    diethyl carbonate 573.09
    propanediol butyl ether 954.55
    triethyl orthoformate 507.94
    p-tert-butyltoluene 318.47
    methyl 4-tert-butylbenzoate 682.46
    morpholine 2337.67
    tert-butylamine 1468.84
    n-dodecanol 380.62
    dimethoxymethane 1063.41
    ethylene carbonate 1055.17
    cyrene 584.32
    2-ethoxyethyl acetate 711.45
    2-ethylhexyl acetate 761.61
    1,2,4-trichlorobenzene 1125.42
    4-methylpyridine 2082.14
    dibutyl ether 876.22
    2,6-dimethyl-4-heptanol 416.11
    DEF 1561.52
    dimethyl isosorbide 971.53
    tetrachloroethylene 1980.84
    eugenol 730.77
    triacetin 813.48
    span 80 814.12
    1,4-butanediol 615.8
    1,1-dichloroethane 2400.69
    2-methyl-1-pentanol 1146.77
    methyl formate 1080.61
    2-methyl-1-butanol 1317.66
    n-decane 185.39
    butyronitrile 1776.88
    3,7-dimethyl-1-octanol 726.57
    1-chlorooctane 598.5
    1-chlorotetradecane 237.05
    n-nonane 198.1
    undecane 137.76
    tert-butylcyclohexane 252.3
    cyclooctane 179.81
    cyclopentanol 1660.23
    tetrahydropyran 2260.46
    tert-amyl methyl ether 917.35
    2,5,8-trioxanonane 1128.51
    1-hexene 1250.22
    2-isopropoxyethanol 767.03
    2,2,2-trifluoroethanol 624.53
    methyl butyrate 1155.13

    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