Butyl sorbate

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  • Identifiers

    CAS number
    7367-78-4

    Molecular formula
    C10H16O2

    SMILES
    CCCCOC(=O)/C=C/C=C/C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.63%
    Green 84.94%
    Tropical 68.99%
    Pineapple 57.47%
    Apple 54.22%
    Sweet 50.67%
    Pear 50.07%
    Fresh 45.22%
    Waxy 44.09%
    Melon 37.44%

     

    Flavor
    Green 43.82%
    Fruity 39.24%
    Fatty 25.85%
    Sweet 24.67%
    Grassy 22.8%
    Vegetable 22.12%
    Tropical 21.88%
    Pungent 21.5%
    Spicy 21.39%
    Apple 20.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.55 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 89.28 ˚C est.

  • Synonyms

    • Butyl sorbate
    • 7367-78-4
    • n-Butyl sorbate
    • butyl (2E,4E)-hexa-2,4-dienoate
    • Butyl (E,E)-hexa-2,4-dienoate
    • butyl 2E,4E-hexadienoate
    • PGD652VR5M
    • HEXA-2,4-DIENOIC ACID BUTYL ESTER
    • EINECS 230-911-0
    • 2,4-Hexadienoic acid,butyl ester, (2E,4E)-
    • NSC-19181
    • AI3-05089
    • 2,4-Hexadienoic acid, butyl ester, (E,E)-
    • 2,4-Hexadienoic acid, butyl ester, (2E,4E)-
    • 2,4-Hexadienoic acid, butyl ester,
    • NSC 19181
    • WE(4:0/6:2(2E,4E))
    • MFCD00043665
    • (2E,4E)-hexa-2,4-dienoic acid butyl ester
    • UNII-PGD652VR5M
    • 2, butyl ester, (E,E)-
    • CHEMBL400301
    • SCHEMBL1656848
    • BUTYL 2,4-HEXADIENOATE
    • CHEBI:195798
    • DTXSID701305286
    • Butyl (2E,4E)-2,4-hexadienoate
    • NSC19181
    • LMFA07010517
    • AKOS006229652
    • Butyl (2E,4E)-2,4-hexadienoate #
    • NS00043216
    • 2,4-Hexadienoic acid,butyl ester,(2E,4E)-
    • Q63399519
    • 230-911-0

  • Applications

    Butyl sorbate is the butyl ester of sorbic acid. In practice, it is mainly used as a fragrance ingredient and a fragrance carrier solvent. In perfumery and cosmetics, it serves as a fragrance solvent and can act as a fixative or odor carrier in personal care products. In household products, it is used as a fragrance component and solvent in cleaners, detergents, and air fresheners. It is also evaluated as an intermediate or processing aid in fragrance manufacture. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3921.81
    methanol 4219.81
    isopropanol 2254.89
    water 0.33
    ethyl acetate 2873.34
    n-propanol 2323.44
    acetone 4693.95
    n-butanol 2182.66
    acetonitrile 2780.05
    DMF 5032.2
    toluene 1066.74
    isobutanol 1720.89
    1,4-dioxane 2770.59
    methyl acetate 2052.68
    THF 4372.99
    2-butanone 2826.22
    n-pentanol 1326.27
    sec-butanol 1927.81
    n-hexane 322.72
    ethylene glycol 353.62
    NMP 3400.17
    cyclohexane 589.02
    DMSO 4691.7
    n-butyl acetate 1990.98
    n-octanol 523.36
    chloroform 4840.81
    n-propyl acetate 1399.94
    acetic acid 2821.73
    dichloromethane 5587.25
    cyclohexanone 3621.11
    propylene glycol 581.58
    isopropyl acetate 1527.54
    DMAc 2712.1
    2-ethoxyethanol 1266.87
    isopentanol 1702.51
    n-heptane 135.81
    ethyl formate 1401.79
    1,2-dichloroethane 4050.05
    n-hexanol 1403.03
    2-methoxyethanol 2699.2
    isobutyl acetate 752.98
    tetrachloromethane 535.94
    n-pentyl acetate 862.91
    transcutol 4358.68
    n-heptanol 450.12
    ethylbenzene 529.32
    MIBK 1168.51
    2-propoxyethanol 1691.0
    tert-butanol 2486.94
    MTBE 2017.69
    2-butoxyethanol 740.98
    propionic acid 1631.93
    o-xylene 542.26
    formic acid 561.23
    diethyl ether 2494.17
    m-xylene 624.59
    p-xylene 649.16
    chlorobenzene 1568.01
    dimethyl carbonate 641.38
    n-octane 54.77
    formamide 980.25
    cyclopentanone 3718.77
    2-pentanone 2560.15
    anisole 1044.5
    cyclopentyl methyl ether 2079.06
    gamma-butyrolactone 3536.83
    1-methoxy-2-propanol 1960.04
    pyridine 3313.67
    3-pentanone 1603.53
    furfural 2381.71
    n-dodecane 48.36
    diethylene glycol 1070.14
    diisopropyl ether 579.59
    tert-amyl alcohol 1944.43
    acetylacetone 2294.55
    n-hexadecane 56.31
    acetophenone 957.01
    methyl propionate 1831.87
    isopentyl acetate 1503.25
    trichloroethylene 6568.45
    n-nonanol 435.97
    cyclohexanol 1917.53
    benzyl alcohol 841.84
    2-ethylhexanol 782.9
    isooctanol 370.47
    dipropyl ether 845.06
    1,2-dichlorobenzene 1235.75
    ethyl lactate 460.02
    propylene carbonate 1755.62
    n-methylformamide 1921.84
    2-pentanol 1509.61
    n-pentane 282.28
    1-propoxy-2-propanol 1226.72
    1-methoxy-2-propyl acetate 1289.27
    2-(2-methoxypropoxy) propanol 792.21
    mesitylene 370.34
    ε-caprolactone 2647.6
    p-cymene 288.09
    epichlorohydrin 4218.78
    1,1,1-trichloroethane 2954.46
    2-aminoethanol 885.85
    morpholine-4-carbaldehyde 2395.48
    sulfolane 3631.19
    2,2,4-trimethylpentane 120.04
    2-methyltetrahydrofuran 3487.16
    n-hexyl acetate 1237.92
    isooctane 100.27
    2-(2-butoxyethoxy)ethanol 1126.91
    sec-butyl acetate 892.04
    tert-butyl acetate 1372.71
    decalin 203.36
    glycerin 601.54
    diglyme 1994.25
    acrylic acid 1291.67
    isopropyl myristate 414.68
    n-butyric acid 2727.01
    acetyl acetate 1450.91
    di(2-ethylhexyl) phthalate 357.99
    ethyl propionate 1182.2
    nitromethane 4043.94
    1,2-diethoxyethane 1599.96
    benzonitrile 1272.38
    trioctyl phosphate 262.49
    1-bromopropane 2454.98
    gamma-valerolactone 3415.7
    n-decanol 306.51
    triethyl phosphate 384.04
    4-methyl-2-pentanol 661.67
    propionitrile 1877.24
    vinylene carbonate 1533.95
    1,1,2-trichlorotrifluoroethane 2197.75
    DMS 875.75
    cumene 313.17
    2-octanol 351.83
    2-hexanone 1442.69
    octyl acetate 534.01
    limonene 534.0
    1,2-dimethoxyethane 2412.1
    ethyl orthosilicate 366.42
    tributyl phosphate 376.9
    diacetone alcohol 1354.32
    N,N-dimethylaniline 664.36
    acrylonitrile 2219.05
    aniline 1333.82
    1,3-propanediol 1371.33
    bromobenzene 1787.58
    dibromomethane 3772.44
    1,1,2,2-tetrachloroethane 4708.48
    2-methyl-cyclohexyl acetate 688.28
    tetrabutyl urea 496.54
    diisobutyl methanol 388.91
    2-phenylethanol 839.28
    styrene 818.58
    dioctyl adipate 610.1
    dimethyl sulfate 911.82
    ethyl butyrate 1070.34
    methyl lactate 702.21
    butyl lactate 594.77
    diethyl carbonate 663.6
    propanediol butyl ether 781.39
    triethyl orthoformate 589.66
    p-tert-butyltoluene 271.21
    methyl 4-tert-butylbenzoate 637.13
    morpholine 4156.83
    tert-butylamine 1537.24
    n-dodecanol 230.28
    dimethoxymethane 2172.83
    ethylene carbonate 1299.41
    cyrene 640.0
    2-ethoxyethyl acetate 1116.29
    2-ethylhexyl acetate 1089.8
    1,2,4-trichlorobenzene 1362.41
    4-methylpyridine 3114.9
    dibutyl ether 823.99
    2,6-dimethyl-4-heptanol 388.91
    DEF 2741.35
    dimethyl isosorbide 1211.33
    tetrachloroethylene 2713.46
    eugenol 662.09
    triacetin 899.94
    span 80 802.85
    1,4-butanediol 479.84
    1,1-dichloroethane 3696.38
    2-methyl-1-pentanol 1128.74
    methyl formate 1265.53
    2-methyl-1-butanol 1650.36
    n-decane 81.74
    butyronitrile 2375.06
    3,7-dimethyl-1-octanol 550.33
    1-chlorooctane 402.51
    1-chlorotetradecane 146.76
    n-nonane 81.53
    undecane 60.83
    tert-butylcyclohexane 170.18
    cyclooctane 122.98
    cyclopentanol 1763.73
    tetrahydropyran 3965.6
    tert-amyl methyl ether 1319.22
    2,5,8-trioxanonane 1300.46
    1-hexene 1188.2
    2-isopropoxyethanol 876.63
    2,2,2-trifluoroethanol 544.16
    methyl butyrate 1757.82

    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