Allyl butyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2051-78-7

    Molecular formula
    C7H12O2

    SMILES
    CCCC(=O)OCC=C

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 883.0
    • Carbowax: 1161.0

  • Odor profile

    Fragrance
    Fruity 97.07%
    Pineapple 71.79%
    Apple 66.03%
    Sweet 63.75%
    Green 63.57%
    Ethereal 63.06%
    Tropical 57.12%
    Banana 50.57%
    Rummy 48.59%
    Pungent 46.47%

     

    Flavor
    Fruity 85.91%
    Pineapple 52.96%
    Sweet 47.7%
    Apple 38.91%
    Berry 38.47%
    Rum 35.1%
    Fruit 34.41%
    Tropical 33.1%
    Green 31.74%
    Fatty 31.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.38 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -80 °C

    Boiling point

    • 142.00 to 143.00 °C. @ 760.00 mm Hg

    Flash point

    • 33.2 ˚C est.

    Solubility expt.

    • Insoluble in water and soluble in ethanol and oils

  • Synonyms

    • Allyl butyrate
    • Allyl butanoate
    • 2051-78-7
    • Allyl n-butyrate
    • 2-Propenyl butanoate
    • prop-2-enyl butanoate
    • Vinyl carbinyl butyrate
    • Butanoic acid, 2-propenyl ester
    • BUTYRIC ACID, ALLYL ESTER
    • 2-Propen-1-yl butanoate
    • Allylester kyseliny maselne
    • FEMA No. 2021
    • prop-2-en-1-yl butanoate
    • Butanoic acid, 2-propen-1-yl ester
    • UNII-DH3T4NN0KO
    • DH3T4NN0KO
    • AllOCOPr
    • Allylester kyseliny maselne [Czech]
    • EINECS 218-129-8
    • NSC 18600
    • BRN 1751642
    • AI3-36006
    • MFCD00009395
    • NSC-18600
    • ALLYL BUTYRATE [FHFI]
    • ALLYL BUTYRATE [USP-RS]
    • DTXSID0047666
    • 4-02-00-00793 (Beilstein Handbook Reference)
    • ALLYL BUTYRATE (USP-RS)
    • Allyl butyrate, 99%
    • SCHEMBL263508
    • WLN: 3VO2U1
    • Allyl butyrate, >=98%, FG
    • butanoic acid prop-2-enyl ester
    • CHEMBL2229584
    • DTXCID8027666
    • FEMA 2021
    • CHEBI:169062
    • NSC18600
    • LMFA07010776
    • AKOS017343231
    • DB-045261
    • NS00011938
    • Q11644419
    • Allyl butyrate, United States Pharmacopeia (USP) Reference Standard
    • 218-129-8

  • Applications

    Allyl butyrate (CAS 2051-78-7) is a fruity, pineapple-rum scented ester widely employed as a flavoring in confectionery, beverages, baked goods, ice cream and chewing gum; within perfumery it is blended to impart bright top notes and long-lasting freshness to perfumes, soaps, shampoos and household detergents; in e-cigarette liquids and flavored tobaccos it elevates sweetness and smooths the smoke profile; the molecule also functions as a key intermediate for acrylic and alkyd resins, plasticizers and other specialty chemicals, acting as a co-monomer or reactivity modifier in polymerization, and is occasionally used as a medium-volatility solvent in coatings and printing inks; due to its intense aroma at very low dosage it lowers formulation costs while complying with FEMA GRAS status, the EU Flavouring Regulation and JECFA safety guidelines, making Allyl butyrate a versatile ingredient across multiple modern industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1296.97
    methanol 1793.98
    isopropanol 1048.8
    water 3.2
    ethyl acetate 708.12
    n-propanol 1026.95
    acetone 1224.26
    n-butanol 972.49
    acetonitrile 1014.43
    DMF 1625.2
    toluene 335.24
    isobutanol 783.79
    1,4-dioxane 1128.42
    methyl acetate 763.68
    THF 1417.93
    2-butanone 930.78
    n-pentanol 827.4
    sec-butanol 1031.79
    n-hexane 270.27
    ethylene glycol 253.04
    NMP 1385.79
    cyclohexane 287.21
    DMSO 1300.46
    n-butyl acetate 830.44
    n-octanol 538.62
    chloroform 2061.31
    n-propyl acetate 580.66
    acetic acid 1622.0
    dichloromethane 1784.42
    cyclohexanone 1276.09
    propylene glycol 361.98
    isopropyl acetate 429.74
    DMAc 1286.72
    2-ethoxyethanol 743.18
    isopentanol 821.87
    n-heptane 134.81
    ethyl formate 609.68
    1,2-dichloroethane 1016.05
    n-hexanol 893.1
    2-methoxyethanol 1081.86
    isobutyl acetate 355.28
    tetrachloromethane 286.69
    n-pentyl acetate 486.05
    transcutol 1928.89
    n-heptanol 368.84
    ethylbenzene 312.41
    MIBK 423.51
    2-propoxyethanol 948.16
    tert-butanol 1169.22
    MTBE 782.35
    2-butoxyethanol 501.23
    propionic acid 953.46
    o-xylene 281.46
    formic acid 404.37
    diethyl ether 739.94
    m-xylene 258.56
    p-xylene 437.82
    chlorobenzene 655.17
    dimethyl carbonate 230.0
    n-octane 66.31
    formamide 427.85
    cyclopentanone 1259.84
    2-pentanone 714.19
    anisole 538.01
    cyclopentyl methyl ether 683.73
    gamma-butyrolactone 1358.54
    1-methoxy-2-propanol 812.94
    pyridine 1128.81
    3-pentanone 531.01
    furfural 1171.79
    n-dodecane 61.4
    diethylene glycol 613.22
    diisopropyl ether 227.66
    tert-amyl alcohol 1091.43
    acetylacetone 625.33
    n-hexadecane 67.8
    acetophenone 553.11
    methyl propionate 536.01
    isopentyl acetate 666.53
    trichloroethylene 1955.34
    n-nonanol 429.2
    cyclohexanol 889.86
    benzyl alcohol 509.14
    2-ethylhexanol 513.76
    isooctanol 302.79
    dipropyl ether 459.11
    1,2-dichlorobenzene 589.06
    ethyl lactate 281.12
    propylene carbonate 804.98
    n-methylformamide 801.21
    2-pentanol 707.05
    n-pentane 188.91
    1-propoxy-2-propanol 725.07
    1-methoxy-2-propyl acetate 492.05
    2-(2-methoxypropoxy) propanol 561.53
    mesitylene 188.91
    ε-caprolactone 1054.79
    p-cymene 209.77
    epichlorohydrin 1219.17
    1,1,1-trichloroethane 989.1
    2-aminoethanol 490.78
    morpholine-4-carbaldehyde 1103.52
    sulfolane 1494.66
    2,2,4-trimethylpentane 105.21
    2-methyltetrahydrofuran 1183.71
    n-hexyl acetate 837.2
    isooctane 76.66
    2-(2-butoxyethoxy)ethanol 699.06
    sec-butyl acetate 367.82
    tert-butyl acetate 460.04
    decalin 146.16
    glycerin 438.39
    diglyme 1108.74
    acrylic acid 883.06
    isopropyl myristate 289.37
    n-butyric acid 1190.87
    acetyl acetate 457.86
    di(2-ethylhexyl) phthalate 276.49
    ethyl propionate 465.83
    nitromethane 1666.43
    1,2-diethoxyethane 672.82
    benzonitrile 776.08
    trioctyl phosphate 212.67
    1-bromopropane 790.03
    gamma-valerolactone 1348.2
    n-decanol 307.68
    triethyl phosphate 248.25
    4-methyl-2-pentanol 371.51
    propionitrile 821.43
    vinylene carbonate 799.03
    1,1,2-trichlorotrifluoroethane 947.84
    DMS 432.29
    cumene 228.99
    2-octanol 325.74
    2-hexanone 701.7
    octyl acetate 387.46
    limonene 322.86
    1,2-dimethoxyethane 1234.96
    ethyl orthosilicate 241.93
    tributyl phosphate 281.94
    diacetone alcohol 533.87
    N,N-dimethylaniline 408.9
    acrylonitrile 948.75
    aniline 496.04
    1,3-propanediol 690.18
    bromobenzene 676.83
    dibromomethane 1290.3
    1,1,2,2-tetrachloroethane 1605.5
    2-methyl-cyclohexyl acetate 427.53
    tetrabutyl urea 364.7
    diisobutyl methanol 265.93
    2-phenylethanol 483.0
    styrene 414.35
    dioctyl adipate 417.32
    dimethyl sulfate 369.88
    ethyl butyrate 508.48
    methyl lactate 322.34
    butyl lactate 402.06
    diethyl carbonate 378.78
    propanediol butyl ether 585.35
    triethyl orthoformate 342.24
    p-tert-butyltoluene 197.4
    methyl 4-tert-butylbenzoate 452.36
    morpholine 1304.09
    tert-butylamine 802.48
    n-dodecanol 238.9
    dimethoxymethane 627.21
    ethylene carbonate 624.72
    cyrene 424.17
    2-ethoxyethyl acetate 484.89
    2-ethylhexyl acetate 499.8
    1,2,4-trichlorobenzene 646.66
    4-methylpyridine 1140.76
    dibutyl ether 563.95
    2,6-dimethyl-4-heptanol 265.93
    DEF 922.63
    dimethyl isosorbide 693.99
    tetrachloroethylene 1007.35
    eugenol 463.09
    triacetin 554.07
    span 80 544.15
    1,4-butanediol 383.66
    1,1-dichloroethane 1188.19
    2-methyl-1-pentanol 774.7
    methyl formate 606.45
    2-methyl-1-butanol 805.45
    n-decane 100.93
    butyronitrile 1015.23
    3,7-dimethyl-1-octanol 466.77
    1-chlorooctane 332.5
    1-chlorotetradecane 139.42
    n-nonane 106.41
    undecane 75.09
    tert-butylcyclohexane 143.66
    cyclooctane 84.37
    cyclopentanol 905.26
    tetrahydropyran 1295.2
    tert-amyl methyl ether 582.65
    2,5,8-trioxanonane 789.11
    1-hexene 708.97
    2-isopropoxyethanol 539.9
    2,2,2-trifluoroethanol 371.84
    methyl butyrate 729.26

    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

Botanical

Name CAS Botanical Proportion
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.03%