Ethyl sorbate

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  • Identifiers

    CAS number
    2396-84-1

    Molecular formula
    C8H12O2

    SMILES
    CCOC(=O)/C=C/C=C/C

    Retention indicies (RI)

    • Carbowax: 1505.0

  • Odor profile

    Fruity 94.82%
    Green 81.11%
    Sweet 72.16%
    Tropical 66.79%
    Pineapple 64.38%
    Apple 53.74%
    Pear 46.73%
    Fresh 43.66%
    Winey 37.91%
    Banana 36.75%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point est.
    64.74 ˚C

    Solubility expt.

    • Slightly soluble in water; miscible in oils
    • soluble (in ethanol)

  • Synonyms

    • ETHYL SORBATE
    • 2396-84-1
    • Ethyl 2,4-hexadienoate
    • Ethyl hexa-2,4-dienoate
    • Sorbic acid, ethyl ester
    • ethyl (2E,4E)-hexa-2,4-dienoate
    • 2,4-Hexadienoic acid, ethyl ester
    • 2,4-Hexadienoic acid, ethyl ester, (2E,4E)-
    • FEMA No. 2459
    • Sorbic Acid Ethyl Ester
    • Ethyl (E,E)-2,4-hexadienoate
    • HSR16USG4D
    • NSC 8874
    • Ethyl 2,4-hexadienoate, (E,E)-
    • EINECS 219-258-2
    • AI3-11732
    • 2,4-Hexadienoic acid, ethyl ester, (E,E)-
    • Ethyl trans,trans-2,4-hexadienoate
    • NSC-8874
    • ETHYL SORBATE [FHFI]
    • CHEBI:72819
    • OZZYKXXGCOLLLO-TWTPFVCWSA-
    • DTXSID80883712
    • Ethyl (2E,4E)-2,4-hexadienoate
    • (2E,4E)-ethyl hexa-2,4-dienoate
    • 2,4-Hexadienoic acid, ethyl ester (9CI)
    • Hexa-2,4-dienoic acid ethyl ester
    • 2,4-Hexadienoic acid, ethyl ester, (E,E)-)
    • (E,E)-2,4-HEXADIENOIC ACID ETHYL ESTER
    • ethylsorbate
    • MFCD00009296
    • UNII-HSR16USG4D
    • Ethyl sorbate, 98%
    • SCHEMBL345935
    • CHEMBL398921
    • Ethyl sorbate, >=97%, FG
    • (E,E)-Ethyl 2,4-hexadienoate
    • FEMA 2459
    • DTXCID00909221
    • NSC8874
    • 5941-48-0
    • LMFA07010882
    • AKOS015915299
    • CS-W014374
    • Ethyl ester(E,E)-2,4-Hexadienoic acid
    • 110318-09-7
    • AS-56445
    • LS-13455
    • Ethyl ester(2E,4E)-2,4-Hexadienoic acid
    • S0055
    • D78104
    • trans,trans-hexa-2,4-dienoic acid ethyl ester
    • 2,4-Hexadienoic acid, ethyl ester, (E,E)-(9CI)
    • 2,4-Hexadienoic acid, ethyl ester, (E,E)- (9CI)
    • Ethyl 2,4-dimethyl-2,4-hexadienoate, not E,E, # 1
    • Q27140166

  • Applications

    Ethyl sorbate (CAS 2396-84-1) is the ethyl ester of sorbic acid and is utilized as an antifungal preservative in foods, beverages, dairy products and sauces, imparts a subtle fruity note to candies, chewing gum and baked goods, serves as a flavour-fixing agent in perfumes and tobacco, functions as a polymer stabilizer, corrosion inhibitor, cosmetic and pharmaceutical additive, and acts as an intermediate in diverse chemical synthesis processes.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1225.71
    methanol 1357.98
    isopropanol 804.6
    water 0.83
    ethyl acetate 1025.48
    n-propanol 861.59
    acetone 1596.07
    n-butanol 836.46
    acetonitrile 1137.64
    DMF 2455.26
    toluene 488.17
    isobutanol 637.76
    1,4-dioxane 1505.52
    methyl acetate 898.17
    THF 2169.93
    2-butanone 1049.85
    n-pentanol 564.8
    sec-butanol 753.03
    n-hexane 181.26
    ethylene glycol 233.19
    NMP 2321.87
    cyclohexane 290.66
    DMSO 2246.47
    n-butyl acetate 714.32
    n-octanol 290.53
    chloroform 2282.99
    n-propyl acetate 512.66
    acetic acid 1518.98
    dichloromethane 2370.09
    cyclohexanone 1592.41
    propylene glycol 289.08
    isopropyl acetate 573.44
    DMAc 1581.38
    2-ethoxyethanol 621.41
    isopentanol 652.53
    n-heptane 79.24
    ethyl formate 533.07
    1,2-dichloroethane 1510.35
    n-hexanol 600.87
    2-methoxyethanol 1190.73
    isobutyl acetate 299.37
    tetrachloromethane 282.94
    n-pentyl acetate 391.64
    transcutol 2087.5
    n-heptanol 204.83
    ethylbenzene 260.37
    MIBK 470.03
    2-propoxyethanol 783.39
    tert-butanol 1130.56
    MTBE 856.07
    2-butoxyethanol 363.18
    propionic acid 875.44
    o-xylene 287.07
    formic acid 386.37
    diethyl ether 995.28
    m-xylene 322.69
    p-xylene 325.83
    chlorobenzene 724.35
    dimethyl carbonate 346.89
    n-octane 37.11
    formamide 598.37
    cyclopentanone 1806.19
    2-pentanone 921.6
    anisole 548.76
    cyclopentyl methyl ether 1038.9
    gamma-butyrolactone 1922.24
    1-methoxy-2-propanol 869.3
    pyridine 1395.62
    3-pentanone 674.68
    furfural 1298.4
    n-dodecane 34.06
    diethylene glycol 549.13
    diisopropyl ether 247.83
    tert-amyl alcohol 873.53
    acetylacetone 949.02
    n-hexadecane 39.33
    acetophenone 485.04
    methyl propionate 773.81
    isopentyl acetate 566.18
    trichloroethylene 2676.53
    n-nonanol 247.91
    cyclohexanol 902.22
    benzyl alcohol 420.48
    2-ethylhexanol 342.04
    isooctanol 170.36
    dipropyl ether 373.91
    1,2-dichlorobenzene 610.24
    ethyl lactate 243.6
    propylene carbonate 936.06
    n-methylformamide 973.94
    2-pentanol 596.04
    n-pentane 149.73
    1-propoxy-2-propanol 567.42
    1-methoxy-2-propyl acetate 561.23
    2-(2-methoxypropoxy) propanol 484.41
    mesitylene 203.16
    ε-caprolactone 1220.83
    p-cymene 158.77
    epichlorohydrin 1855.99
    1,1,1-trichloroethane 1253.84
    2-aminoethanol 456.2
    morpholine-4-carbaldehyde 1399.67
    sulfolane 2423.92
    2,2,4-trimethylpentane 77.21
    2-methyltetrahydrofuran 1665.36
    n-hexyl acetate 652.34
    isooctane 54.74
    2-(2-butoxyethoxy)ethanol 620.54
    sec-butyl acetate 349.48
    tert-butyl acetate 628.02
    decalin 122.2
    glycerin 384.3
    diglyme 1009.07
    acrylic acid 798.0
    isopropyl myristate 232.0
    n-butyric acid 1128.27
    acetyl acetate 640.69
    di(2-ethylhexyl) phthalate 230.19
    ethyl propionate 509.4
    nitromethane 1972.76
    1,2-diethoxyethane 743.35
    benzonitrile 608.01
    trioctyl phosphate 158.74
    1-bromopropane 994.84
    gamma-valerolactone 1791.26
    n-decanol 178.78
    triethyl phosphate 228.62
    4-methyl-2-pentanol 275.94
    propionitrile 818.81
    vinylene carbonate 834.38
    1,1,2-trichlorotrifluoroethane 1130.39
    DMS 500.32
    cumene 168.22
    2-octanol 173.95
    2-hexanone 560.94
    octyl acetate 309.85
    limonene 275.3
    1,2-dimethoxyethane 1156.07
    ethyl orthosilicate 214.2
    tributyl phosphate 227.27
    diacetone alcohol 614.9
    N,N-dimethylaniline 371.17
    acrylonitrile 988.52
    aniline 639.83
    1,3-propanediol 614.4
    bromobenzene 831.42
    dibromomethane 1627.8
    1,1,2,2-tetrachloroethane 2015.94
    2-methyl-cyclohexyl acetate 368.54
    tetrabutyl urea 300.0
    diisobutyl methanol 180.57
    2-phenylethanol 411.15
    styrene 384.5
    dioctyl adipate 348.11
    dimethyl sulfate 592.33
    ethyl butyrate 437.9
    methyl lactate 368.16
    butyl lactate 287.13
    diethyl carbonate 328.78
    propanediol butyl ether 390.86
    triethyl orthoformate 298.45
    p-tert-butyltoluene 153.19
    methyl 4-tert-butylbenzoate 387.74
    morpholine 1848.94
    tert-butylamine 716.49
    n-dodecanol 137.03
    dimethoxymethane 1006.53
    ethylene carbonate 689.75
    cyrene 427.8
    2-ethoxyethyl acetate 520.29
    2-ethylhexyl acetate 440.32
    1,2,4-trichlorobenzene 689.74
    4-methylpyridine 1291.28
    dibutyl ether 414.85
    2,6-dimethyl-4-heptanol 180.57
    DEF 1270.68
    dimethyl isosorbide 747.75
    tetrachloroethylene 1185.62
    eugenol 408.46
    triacetin 526.18
    span 80 434.93
    1,4-butanediol 244.26
    1,1-dichloroethane 1464.94
    2-methyl-1-pentanol 501.52
    methyl formate 674.14
    2-methyl-1-butanol 644.23
    n-decane 54.01
    butyronitrile 918.33
    3,7-dimethyl-1-octanol 286.81
    1-chlorooctane 230.05
    1-chlorotetradecane 92.5
    n-nonane 54.78
    undecane 41.55
    tert-butylcyclohexane 107.03
    cyclooctane 73.06
    cyclopentanol 926.1
    tetrahydropyran 1636.28
    tert-amyl methyl ether 643.47
    2,5,8-trioxanonane 761.7
    1-hexene 515.84
    2-isopropoxyethanol 433.14
    2,2,2-trifluoroethanol 373.12
    methyl butyrate 694.56

    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
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.11%
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 1.4%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 3.0%