Sorbyl acetate

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  • Identifiers

    CAS number
    1516-17-2

    Molecular formula
    C8H12O2

    SMILES
    C/C=C/C=C/COC(=O)C

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fruity 93.95%
    Green 86.66%
    Sweet 76.28%
    Tropical 63.56%
    Fresh 53.67%
    Pineapple 52.89%
    Apple 52.13%
    Pear 51.72%
    Banana 46.23%
    Melon 41.52%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 100.00 °C. @ 20.00 mm Hg

    Flash point est.
    69.16 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Sorbyl acetate
    • 1516-17-2
    • trans,trans-2,4-Hexadienyl acetate
    • 2,4-Hexadienyl acetate
    • Hexa-2,4-dienyl acetate
    • [(2E,4E)-hexa-2,4-dienyl] acetate
    • 2,4-Hexadien-1-ol, 1-acetate
    • 57006-69-6
    • Hexa-2,4-dien-1-yl acetate
    • 2,4-Hexadien-1-ol, acetate
    • (E,E)-2,4-Hexadienyl acetate
    • ACETIC ACID, 2,4-HEXADIENYL ESTER
    • FEMA no. 4132
    • Hexa-2,4-dienyl A
    • Acetic acid, 2,4-hexadien-1-ol ester
    • (2E,4E)-hexa-2,4-dien-1-yl acetate
    • 2E,4E-Hexadienyl acetate
    • 2,4-Hexadienylester kyseliny octove
    • EINECS 216-163-8
    • AI3-32962
    • 5416SJ1T8T
    • 2,4-Hexadienylester kyseliny octove [Czech]
    • (2E,4E)-2,4-Hexadienyl acetate
    • trans,trans-Hexa-2,4-dienyl acetate
    • 2,4-HEXADIENYL ACETATE [FHFI]
    • ((2E,4E)-hexa-2,4-dienyl) acetate
    • DTXSID80862683
    • UNII-5416SJ1T8T
    • (E,E)-sorbyl acetate
    • Acetic acid (2E,4E)-2,4-hexadienyl ester
    • SCHEMBL1302474
    • SCHEMBL1302475
    • SCHEMBL15978101
    • DTXCID20811413
    • CHEBI:191490
    • CHEBI:194509
    • DTXSID701283446
    • 1-acetoxy-(E,E)-2,4-hexadiene
    • (E,E)-2,4-hexadien-1-ol acetate
    • LMFA07010180
    • AKOS025294573
    • (2E,4E)-2,4-Hexadienyl acetate #
    • CS-W016457
    • (2E,4E)-2,4-hexadien-1-yl acetate
    • BS-52946
    • (2E,4E)-2,4-hexadien-1-ol 1-acetate
    • trans,trans-2,4-Hexadienyl acetate, 97%
    • Acetic acid(2E,4E)-2,4-hexadienyl ester
    • NS00012534
    • 2,4-Hexadien-1-ol, 1-acetate, (2E,4E)-
    • Q27261148
    • 216-163-8
    • 887-300-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 594.53
    methanol 592.0
    isopropanol 475.06
    water 2.34
    ethyl acetate 310.34
    n-propanol 396.92
    acetone 669.93
    n-butanol 368.4
    acetonitrile 385.71
    DMF 1216.93
    toluene 132.55
    isobutanol 287.76
    1,4-dioxane 624.09
    methyl acetate 348.38
    THF 782.16
    2-butanone 408.68
    n-pentanol 259.38
    sec-butanol 371.67
    n-hexane 68.18
    ethylene glycol 183.49
    NMP 939.21
    cyclohexane 43.88
    DMSO 1109.04
    n-butyl acetate 187.08
    n-octanol 122.12
    chloroform 750.06
    n-propyl acetate 163.77
    acetic acid 579.68
    dichloromethane 603.38
    cyclohexanone 477.24
    propylene glycol 284.96
    isopropyl acetate 196.9
    DMAc 1113.41
    2-ethoxyethanol 407.48
    isopentanol 299.09
    n-heptane 25.35
    ethyl formate 166.79
    1,2-dichloroethane 364.5
    n-hexanol 224.88
    2-methoxyethanol 695.0
    isobutyl acetate 122.3
    tetrachloromethane 90.07
    n-pentyl acetate 121.34
    transcutol 1326.67
    n-heptanol 83.36
    ethylbenzene 88.18
    MIBK 194.33
    2-propoxyethanol 381.29
    tert-butanol 609.97
    MTBE 402.15
    2-butoxyethanol 184.76
    propionic acid 391.18
    o-xylene 104.67
    formic acid 203.88
    diethyl ether 335.14
    m-xylene 109.04
    p-xylene 109.45
    chlorobenzene 182.56
    dimethyl carbonate 134.77
    n-octane 11.62
    formamide 273.53
    cyclopentanone 619.41
    2-pentanone 323.74
    anisole 233.22
    cyclopentyl methyl ether 366.82
    gamma-butyrolactone 623.58
    1-methoxy-2-propanol 548.02
    pyridine 387.13
    3-pentanone 237.2
    furfural 462.8
    n-dodecane 12.72
    diethylene glycol 341.55
    diisopropyl ether 93.29
    tert-amyl alcohol 464.73
    acetylacetone 388.35
    n-hexadecane 14.02
    acetophenone 198.6
    methyl propionate 275.69
    isopentyl acetate 190.75
    trichloroethylene 650.16
    n-nonanol 108.36
    cyclohexanol 321.62
    benzyl alcohol 183.07
    2-ethylhexanol 132.53
    isooctanol 74.52
    dipropyl ether 130.9
    1,2-dichlorobenzene 179.03
    ethyl lactate 119.7
    propylene carbonate 280.85
    n-methylformamide 372.97
    2-pentanol 260.6
    n-pentane 44.4
    1-propoxy-2-propanol 263.14
    1-methoxy-2-propyl acetate 225.7
    2-(2-methoxypropoxy) propanol 287.82
    mesitylene 72.37
    ε-caprolactone 380.92
    p-cymene 56.75
    epichlorohydrin 580.26
    1,1,1-trichloroethane 363.33
    2-aminoethanol 321.82
    morpholine-4-carbaldehyde 682.13
    sulfolane 865.29
    2,2,4-trimethylpentane 31.92
    2-methyltetrahydrofuran 583.14
    n-hexyl acetate 229.92
    isooctane 21.74
    2-(2-butoxyethoxy)ethanol 353.44
    sec-butyl acetate 135.07
    tert-butyl acetate 255.1
    decalin 40.7
    glycerin 340.1
    diglyme 541.05
    acrylic acid 338.38
    isopropyl myristate 90.91
    n-butyric acid 398.12
    acetyl acetate 205.77
    di(2-ethylhexyl) phthalate 103.32
    ethyl propionate 173.1
    nitromethane 737.82
    1,2-diethoxyethane 306.11
    benzonitrile 201.23
    trioctyl phosphate 65.51
    1-bromopropane 255.28
    gamma-valerolactone 664.62
    n-decanol 80.51
    triethyl phosphate 89.33
    4-methyl-2-pentanol 137.32
    propionitrile 275.64
    vinylene carbonate 239.99
    1,1,2-trichlorotrifluoroethane 523.97
    DMS 204.39
    cumene 67.36
    2-octanol 67.99
    2-hexanone 212.27
    octyl acetate 115.5
    limonene 97.1
    1,2-dimethoxyethane 534.26
    ethyl orthosilicate 90.49
    tributyl phosphate 95.68
    diacetone alcohol 331.38
    N,N-dimethylaniline 177.21
    acrylonitrile 333.68
    aniline 232.61
    1,3-propanediol 369.87
    bromobenzene 189.51
    dibromomethane 422.29
    1,1,2,2-tetrachloroethane 620.67
    2-methyl-cyclohexyl acetate 145.26
    tetrabutyl urea 130.64
    diisobutyl methanol 80.47
    2-phenylethanol 156.48
    styrene 117.54
    dioctyl adipate 148.46
    dimethyl sulfate 294.8
    ethyl butyrate 138.63
    methyl lactate 209.3
    butyl lactate 124.45
    diethyl carbonate 105.03
    propanediol butyl ether 255.12
    triethyl orthoformate 115.06
    p-tert-butyltoluene 59.43
    methyl 4-tert-butylbenzoate 191.92
    morpholine 760.75
    tert-butylamine 364.33
    n-dodecanol 62.3
    dimethoxymethane 407.92
    ethylene carbonate 193.51
    cyrene 247.14
    2-ethoxyethyl acetate 203.69
    2-ethylhexyl acetate 148.71
    1,2,4-trichlorobenzene 241.56
    4-methylpyridine 401.89
    dibutyl ether 152.89
    2,6-dimethyl-4-heptanol 80.47
    DEF 450.47
    dimethyl isosorbide 371.91
    tetrachloroethylene 332.94
    eugenol 195.21
    triacetin 249.08
    span 80 234.49
    1,4-butanediol 147.44
    1,1-dichloroethane 408.72
    2-methyl-1-pentanol 234.95
    methyl formate 235.28
    2-methyl-1-butanol 290.0
    n-decane 19.65
    butyronitrile 290.57
    3,7-dimethyl-1-octanol 130.34
    1-chlorooctane 81.22
    1-chlorotetradecane 35.75
    n-nonane 19.17
    undecane 15.31
    tert-butylcyclohexane 44.54
    cyclooctane 16.0
    cyclopentanol 345.48
    tetrahydropyran 502.34
    tert-amyl methyl ether 303.31
    2,5,8-trioxanonane 434.58
    1-hexene 184.44
    2-isopropoxyethanol 273.62
    2,2,2-trifluoroethanol 175.38
    methyl butyrate 223.52

    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