Allyl propionate

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  • Identifiers

    CAS number
    2408-20-0

    Molecular formula
    C6H10O2

    SMILES
    CCC(=O)OCC=C

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fruity 96.21%
    Ethereal 70.3%
    Green 60.92%
    Apple 60.4%
    Pineapple 57.0%
    Pungent 55.76%
    Rummy 55.33%
    Sweet 50.6%
    Sharp 49.0%
    Tropical 48.55%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.9 (neutral)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 124.00 to 125.00 °C. @ 760.00 mm Hg

    Flash point est.
    24.99 ˚C

  • Synonyms

    • ALLYL PROPIONATE
    • Allyl propanoate
    • 2408-20-0
    • Propanoic acid, 2-propenyl ester
    • Propionic acid, allyl ester
    • 2-Propenyl propanoate
    • prop-2-enyl propanoate
    • FEMA No. 2040
    • Allyl n-propionate
    • prop-2-en-1-yl propanoate
    • Propanoic acid, 2-propen-1-yl ester
    • NSC 7620
    • EINECS 219-307-8
    • UNII-0OYW8C5029
    • AI3-24478
    • 0OYW8C5029
    • NSC-7620
    • ALLYL PROPIONATE [FCC]
    • C2H5C(O)OCH2CH=CH2
    • ALLYL PROPIONATE [FHFI]
    • DTXSID0047668
    • Propionic acid, allyl ester (8CI)
    • Allyl propionate, >=99%
    • SCHEMBL194711
    • DTXCID8027668
    • NSC7620
    • propanoic acid prop-2-enyl ester
    • CHEBI:166457
    • STL280335
    • AKOS016357532
    • DB-046338
    • NS00011953
    • Q27237045
    • 219-307-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 833.17
    methanol 1198.46
    isopropanol 611.86
    water 7.46
    ethyl acetate 507.46
    n-propanol 563.23
    acetone 744.21
    n-butanol 572.18
    acetonitrile 908.87
    DMF 907.82
    toluene 301.95
    isobutanol 447.95
    1,4-dioxane 836.64
    methyl acetate 627.59
    THF 826.67
    2-butanone 726.13
    n-pentanol 536.23
    sec-butanol 614.14
    n-hexane 162.64
    ethylene glycol 167.25
    NMP 841.11
    cyclohexane 160.26
    DMSO 930.22
    n-butyl acetate 584.43
    n-octanol 384.08
    chloroform 1382.55
    n-propyl acetate 483.37
    acetic acid 786.25
    dichloromethane 1702.11
    cyclohexanone 742.74
    propylene glycol 183.82
    isopropyl acetate 275.79
    DMAc 1036.57
    2-ethoxyethanol 652.54
    isopentanol 497.13
    n-heptane 121.22
    ethyl formate 524.99
    1,2-dichloroethane 860.69
    n-hexanol 482.13
    2-methoxyethanol 787.96
    isobutyl acetate 261.87
    tetrachloromethane 263.69
    n-pentyl acetate 368.91
    transcutol 1325.02
    n-heptanol 266.21
    ethylbenzene 312.68
    MIBK 287.06
    2-propoxyethanol 604.14
    tert-butanol 682.95
    MTBE 578.25
    2-butoxyethanol 391.15
    propionic acid 543.96
    o-xylene 273.56
    formic acid 299.66
    diethyl ether 519.3
    m-xylene 215.76
    p-xylene 450.83
    chlorobenzene 494.35
    dimethyl carbonate 172.85
    n-octane 66.97
    formamide 390.99
    cyclopentanone 738.12
    2-pentanone 501.08
    anisole 496.74
    cyclopentyl methyl ether 388.64
    gamma-butyrolactone 826.88
    1-methoxy-2-propanol 497.74
    pyridine 806.2
    3-pentanone 410.19
    furfural 923.79
    n-dodecane 61.78
    diethylene glycol 394.69
    diisopropyl ether 163.07
    tert-amyl alcohol 717.84
    acetylacetone 418.95
    n-hexadecane 66.95
    acetophenone 510.11
    methyl propionate 398.8
    isopentyl acetate 436.5
    trichloroethylene 1419.48
    n-nonanol 313.68
    cyclohexanol 458.3
    benzyl alcohol 434.98
    2-ethylhexanol 357.32
    isooctanol 223.81
    dipropyl ether 354.94
    1,2-dichlorobenzene 478.8
    ethyl lactate 218.09
    propylene carbonate 513.62
    n-methylformamide 581.15
    2-pentanol 395.78
    n-pentane 132.72
    1-propoxy-2-propanol 441.19
    1-methoxy-2-propyl acetate 315.08
    2-(2-methoxypropoxy) propanol 454.23
    mesitylene 151.63
    ε-caprolactone 659.26
    p-cymene 204.18
    epichlorohydrin 922.63
    1,1,1-trichloroethane 731.81
    2-aminoethanol 305.9
    morpholine-4-carbaldehyde 834.82
    sulfolane 857.97
    2,2,4-trimethylpentane 88.22
    2-methyltetrahydrofuran 760.14
    n-hexyl acetate 555.68
    isooctane 53.69
    2-(2-butoxyethoxy)ethanol 536.72
    sec-butyl acetate 286.66
    tert-butyl acetate 283.73
    decalin 114.36
    glycerin 227.08
    diglyme 938.76
    acrylic acid 504.07
    isopropyl myristate 230.64
    n-butyric acid 631.4
    acetyl acetate 310.24
    di(2-ethylhexyl) phthalate 223.0
    ethyl propionate 389.9
    nitromethane 1038.44
    1,2-diethoxyethane 637.7
    benzonitrile 695.91
    trioctyl phosphate 168.7
    1-bromopropane 615.43
    gamma-valerolactone 857.65
    n-decanol 235.92
    triethyl phosphate 208.39
    4-methyl-2-pentanol 228.1
    propionitrile 664.69
    vinylene carbonate 564.11
    1,1,2-trichlorotrifluoroethane 618.11
    DMS 332.24
    cumene 234.83
    2-octanol 241.48
    2-hexanone 548.04
    octyl acetate 297.09
    limonene 275.32
    1,2-dimethoxyethane 1196.88
    ethyl orthosilicate 194.14
    tributyl phosphate 229.79
    diacetone alcohol 326.23
    N,N-dimethylaniline 391.54
    acrylonitrile 826.73
    aniline 349.42
    1,3-propanediol 429.53
    bromobenzene 529.74
    dibromomethane 1100.83
    1,1,2,2-tetrachloroethane 996.75
    2-methyl-cyclohexyl acetate 337.37
    tetrabutyl urea 298.8
    diisobutyl methanol 184.7
    2-phenylethanol 362.4
    styrene 392.66
    dioctyl adipate 340.64
    dimethyl sulfate 267.94
    ethyl butyrate 467.49
    methyl lactate 196.54
    butyl lactate 278.19
    diethyl carbonate 343.13
    propanediol butyl ether 364.54
    triethyl orthoformate 271.83
    p-tert-butyltoluene 175.5
    methyl 4-tert-butylbenzoate 355.63
    morpholine 842.8
    tert-butylamine 497.83
    n-dodecanol 187.32
    dimethoxymethane 492.18
    ethylene carbonate 413.37
    cyrene 323.17
    2-ethoxyethyl acetate 414.37
    2-ethylhexyl acetate 362.16
    1,2,4-trichlorobenzene 514.3
    4-methylpyridine 860.16
    dibutyl ether 424.9
    2,6-dimethyl-4-heptanol 184.7
    DEF 666.8
    dimethyl isosorbide 547.8
    tetrachloroethylene 722.01
    eugenol 377.12
    triacetin 436.82
    span 80 363.06
    1,4-butanediol 279.62
    1,1-dichloroethane 845.35
    2-methyl-1-pentanol 529.25
    methyl formate 447.22
    2-methyl-1-butanol 499.97
    n-decane 90.91
    butyronitrile 710.51
    3,7-dimethyl-1-octanol 344.96
    1-chlorooctane 269.33
    1-chlorotetradecane 126.83
    n-nonane 94.68
    undecane 71.74
    tert-butylcyclohexane 114.3
    cyclooctane 60.25
    cyclopentanol 473.38
    tetrahydropyran 716.74
    tert-amyl methyl ether 470.93
    2,5,8-trioxanonane 676.09
    1-hexene 445.37
    2-isopropoxyethanol 448.44
    2,2,2-trifluoroethanol 228.78
    methyl butyrate 603.76

    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