2-Hexenyl acetate, (2E)-

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  • Identifiers

    CAS number
    2497-18-9

    Molecular formula
    C8H14O2

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

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1024.0
    • Carbowax: 1327.29

  • Odor profile

    Fruity 96.41%
    Green 92.41%
    Apple 67.39%
    Sweet 64.3%
    Banana 63.9%
    Tropical 62.74%
    Fresh 61.75%
    Pear 61.68%
    Waxy 51.23%
    Pineapple 50.13%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 165.00 to 166.00 °C. @ 760.00 mm Hg

    Flash point est.
    62.13 ˚C

    Solubility expt.

    • Very slightly soluble in water; Soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Hexenyl acetate
    • 2497-18-9
    • 2-Hexenyl acetate
    • trans-Hex-2-enyl acetate
    • [(E)-hex-2-enyl] acetate
    • (E)-2-HEXENYL ACETATE
    • 2-Hexen-1-ol, acetate
    • 2-Hexen-1-ol, 1-acetate, (2E)-
    • trans-2-hexen-1-yl acetate
    • 2-Hexen-1-yl-acetate
    • 2-Hexenyl acetate, (2E)-
    • 2-Hexen-1-ol, acetate, (E)-
    • (e)-2-hexen-1-yl acetate
    • FEMA No. 2564
    • (E)-Hex-2-en-1-yl acetate
    • (E)-Hex-2-enyl acetate
    • 2-Hexenyl acetate, trans-
    • Trans-2-HEXENYLACETATE
    • 2E-Hexenyl acetate
    • BRN 1721851
    • XDV436N45E
    • 2-Hexen-1-yl acetate, trans-
    • Acetic Acid trans-2-Hexenyl Ester
    • EINECS 219-680-7
    • (2E)-2-Hexenyl acetate
    • (E)-2-hexen-1-ol acetate
    • trans-hex-2-en-1-yl acetate
    • AI3-34393
    • (2E)-hex-2-en-1-yl acetate
    • CHEBI:141209
    • DTXSID40879237
    • 4-02-00-00187 (Beilstein Handbook Reference)
    • HEXEN-1-YL ACETATE [FHFI]
    • (E)-2-HEXENYL ACETATE [FCC]
    • HEXEN-1-YL ACETATE, TRANS-2-
    • ((E)-hex-2-enyl) acetate
    • EINECS 233-223-9
    • hex-2-en-1-yl acetate
    • UNII-XDV436N45E
    • 2-Hexenol acetate
    • hexen-1-yl acetate
    • MFCD00009474
    • 2-Hexen-1-ol acetate
    • SCHEMBL112504
    • SCHEMBL112505
    • CHEMBL2251453
    • trans-2-Hexenyl acetate, 98%
    • FEMA 2564
    • DTXCID50909236
    • (E)-Acetic acid hex-2-enyl ester
    • LMFA07010178
    • CS-W018282
    • LS-13478
    • A0877
    • NS00012569
    • trans-2-Hexenyl acetate, >=98%, FCC, FG
    • E75960
    • Q209406
    • 219-680-7

  • Applications

    Trans-2-Hexenyl acetate (CAS 2497-18-9) is a naturally occurring fruity “green-leaf” ester used as a flavouring agent in candies, beverages, baked goods, canned vegetables, sauces and nutritional formulations to mimic green-apple or ripe-banana notes, as a top-note ingredient in perfumes, soaps, detergents, scented candles, diffusion oils, flavoured tobacco, and skin- and hair-care cosmetics, additionally studied as a freshness marker for post-harvest fruits, a semiochemical for pollinator attraction or pest repulsion, and as an intermediate in the synthesis of other bioactive compounds.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1528.79
    methanol 1648.16
    isopropanol 1079.02
    water 1.51
    ethyl acetate 608.68
    n-propanol 918.51
    acetone 1405.71
    n-butanol 807.57
    acetonitrile 678.58
    DMF 2011.19
    toluene 241.58
    isobutanol 639.52
    1,4-dioxane 1147.49
    methyl acetate 553.52
    THF 1550.59
    2-butanone 736.68
    n-pentanol 549.24
    sec-butanol 744.2
    n-hexane 137.72
    ethylene glycol 354.36
    NMP 1350.96
    cyclohexane 106.67
    DMSO 2052.98
    n-butyl acetate 435.83
    n-octanol 232.02
    chloroform 1326.2
    n-propyl acetate 325.56
    acetic acid 1248.99
    dichloromethane 1043.93
    cyclohexanone 1000.29
    propylene glycol 562.42
    isopropyl acetate 383.08
    DMAc 1284.22
    2-ethoxyethanol 673.34
    isopentanol 630.37
    n-heptane 45.34
    ethyl formate 329.32
    1,2-dichloroethane 708.35
    n-hexanol 526.32
    2-methoxyethanol 1272.42
    isobutyl acetate 225.63
    tetrachloromethane 176.72
    n-pentyl acetate 243.71
    transcutol 2407.21
    n-heptanol 170.56
    ethylbenzene 141.48
    MIBK 348.17
    2-propoxyethanol 767.78
    tert-butanol 1237.76
    MTBE 718.99
    2-butoxyethanol 338.81
    propionic acid 734.29
    o-xylene 167.91
    formic acid 363.66
    diethyl ether 662.09
    m-xylene 196.8
    p-xylene 176.68
    chlorobenzene 336.66
    dimethyl carbonate 180.12
    n-octane 18.1
    formamide 426.74
    cyclopentanone 1135.33
    2-pentanone 652.57
    anisole 343.17
    cyclopentyl methyl ether 702.87
    gamma-butyrolactone 1069.23
    1-methoxy-2-propanol 973.9
    pyridine 717.89
    3-pentanone 415.23
    furfural 782.02
    n-dodecane 17.29
    diethylene glycol 622.93
    diisopropyl ether 168.02
    tert-amyl alcohol 860.67
    acetylacetone 696.56
    n-hexadecane 19.29
    acetophenone 299.39
    methyl propionate 465.2
    isopentyl acetate 392.27
    trichloroethylene 1204.68
    n-nonanol 191.15
    cyclohexanol 710.58
    benzyl alcohol 320.4
    2-ethylhexanol 272.64
    isooctanol 145.5
    dipropyl ether 254.33
    1,2-dichlorobenzene 304.92
    ethyl lactate 192.7
    propylene carbonate 511.18
    n-methylformamide 695.84
    2-pentanol 533.61
    n-pentane 86.93
    1-propoxy-2-propanol 533.47
    1-methoxy-2-propyl acetate 423.81
    2-(2-methoxypropoxy) propanol 445.94
    mesitylene 123.69
    ε-caprolactone 734.59
    p-cymene 91.34
    epichlorohydrin 1048.79
    1,1,1-trichloroethane 674.41
    2-aminoethanol 657.6
    morpholine-4-carbaldehyde 1049.07
    sulfolane 1470.26
    2,2,4-trimethylpentane 49.36
    2-methyltetrahydrofuran 1146.19
    n-hexyl acetate 419.45
    isooctane 38.39
    2-(2-butoxyethoxy)ethanol 606.28
    sec-butyl acetate 234.22
    tert-butyl acetate 462.24
    decalin 67.17
    glycerin 617.08
    diglyme 897.97
    acrylic acid 598.18
    isopropyl myristate 148.66
    n-butyric acid 902.17
    acetyl acetate 370.34
    di(2-ethylhexyl) phthalate 169.24
    ethyl propionate 296.97
    nitromethane 1292.41
    1,2-diethoxyethane 567.39
    benzonitrile 361.5
    trioctyl phosphate 112.54
    1-bromopropane 500.5
    gamma-valerolactone 1162.36
    n-decanol 137.2
    triethyl phosphate 138.21
    4-methyl-2-pentanol 257.12
    propionitrile 514.88
    vinylene carbonate 429.97
    1,1,2-trichlorotrifluoroethane 914.32
    DMS 316.63
    cumene 104.75
    2-octanol 130.88
    2-hexanone 420.79
    octyl acetate 191.27
    limonene 165.37
    1,2-dimethoxyethane 943.04
    ethyl orthosilicate 139.4
    tributyl phosphate 159.52
    diacetone alcohol 594.45
    N,N-dimethylaniline 243.9
    acrylonitrile 581.2
    aniline 425.26
    1,3-propanediol 753.69
    bromobenzene 354.01
    dibromomethane 787.96
    1,1,2,2-tetrachloroethane 1131.02
    2-methyl-cyclohexyl acetate 245.82
    tetrabutyl urea 208.78
    diisobutyl methanol 144.95
    2-phenylethanol 298.02
    styrene 192.87
    dioctyl adipate 248.87
    dimethyl sulfate 362.54
    ethyl butyrate 260.57
    methyl lactate 325.23
    butyl lactate 243.05
    diethyl carbonate 179.88
    propanediol butyl ether 491.44
    triethyl orthoformate 196.29
    p-tert-butyltoluene 96.15
    methyl 4-tert-butylbenzoate 281.84
    morpholine 1499.19
    tert-butylamine 725.66
    n-dodecanol 102.19
    dimethoxymethane 664.84
    ethylene carbonate 357.97
    cyrene 362.21
    2-ethoxyethyl acetate 364.88
    2-ethylhexyl acetate 294.98
    1,2,4-trichlorobenzene 382.1
    4-methylpyridine 710.35
    dibutyl ether 281.68
    2,6-dimethyl-4-heptanol 144.95
    DEF 760.81
    dimethyl isosorbide 604.82
    tetrachloroethylene 667.53
    eugenol 303.49
    triacetin 400.16
    span 80 404.2
    1,4-butanediol 306.85
    1,1-dichloroethane 787.59
    2-methyl-1-pentanol 471.42
    methyl formate 415.89
    2-methyl-1-butanol 582.85
    n-decane 27.86
    butyronitrile 588.32
    3,7-dimethyl-1-octanol 237.78
    1-chlorooctane 132.57
    1-chlorotetradecane 52.93
    n-nonane 28.12
    undecane 21.34
    tert-butylcyclohexane 69.57
    cyclooctane 31.01
    cyclopentanol 755.75
    tetrahydropyran 1136.89
    tert-amyl methyl ether 484.29
    2,5,8-trioxanonane 677.62
    1-hexene 400.55
    2-isopropoxyethanol 460.93
    2,2,2-trifluoroethanol 288.23
    methyl butyrate 418.6

    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
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.01%
Lilac, White, Picked Flower Headspace 2 Syringa vulgaris L., fam. Oleaceae 0.01%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 1.8%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 0.82%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.21%
Lawsonia inermis flower headspace (China) Lawsonia inermis L., fam. Lythraceae 0.29%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.01%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.24%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.11%
Cinnamon leaf (India) 5 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.1%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.07%
Lemon balm (UK) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Lemon Balm (Idaho, USA) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Manuka (New Zealand) Leptospermum scoparium 0.53%