2-Hexenyl formate, (2E)-

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  • Identifiers

    CAS number
    53398-78-0

    Molecular formula
    C7H12O2

    SMILES
    CCC/C=C/COC=O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 93.49%
    Green 92.88%
    Apple 71.11%
    Fresh 60.16%
    Tropical 52.78%
    Melon 49.16%
    Pear 48.17%
    Waxy 47.99%
    Banana 45.98%
    Vegetable 45.04%

     

    Flavor
    Green 88.35%
    Fresh 57.54%
    Waxy 51.95%
    Apple 50.19%
    Vegetable 46.57%
    Fatty 45.85%
    Grassy 45.69%
    Fruity 44.48%
    Sweet 42.7%
    Cucumber 40.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.87 (neutral)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 42.00 °C. @ 1.00 mm Hg

    Flash point

    • 53.18 ˚C est.

    Solubility expt.

    • Soluble in fats; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Hexenyl formate
    • 53398-78-0
    • (E)-2-Hexenyl formate
    • (E)-Hex-2-enyl formate
    • [(E)-hex-2-enyl] formate
    • 2-Hexenyl formate
    • 2-Hexen-1-ol, formate, (2E)-
    • 2-Hexenyl formate, (2E)-
    • 9FKH3Z2E3A
    • 2-Hexen-1-ol, 1-formate, (2E)-
    • EINECS 258-512-7
    • 3-Methylpentyl ethylphosphonofluoridate
    • DTXSID40866304
    • (E)-2-HEXENYL FORMATE [FHFI]
    • 3-Methylpentyl ethylphosphonofluoridoate
    • (E)-2-Hexen-1-ol formate
    • UNII-9FKH3Z2E3A
    • e-2-hexenyl formate
    • (2E)-2-hexenyl formate
    • SCHEMBL96998
    • [(E)-hex-2-enyl] ormate
    • Formate(2E)-2-Hexen-1-ol
    • (E)-Hex-2-en-1-yl formate
    • (2E)-hex-2-en-1-yl formate
    • FEMA 3927
    • 1-Formate(2E)-2-Hexen-1-ol
    • DTXCID10909974
    • CHEBI:173499
    • AKOS006273756
    • DB-266987
    • NS00061014
    • Q27272497
    • 258-512-7

  • Applications

    2-Hexenyl formate, (2E)- (CAS 53398-78-0), is typically used as a fragrance ingredient and odorant in perfumery, contributing green, fruity, and leafy notes. It is also employed as an aroma compound in flavor formulations and may appear in cosmetics and personal care products to impart scent. In industrial manufacturing, it serves as a precursor for the synthesis of more complex fragrance and specialty chemicals, leveraging its ester functionality and the C=C double bond for further transformations. As an alkenyl formate ester, it may be evaluated as a reactive intermediate in polymer and coating chemistries where fragrance integration into materials is desired. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1637.05
    methanol 2046.52
    isopropanol 898.21
    water 0.75
    ethyl acetate 1089.2
    n-propanol 949.22
    acetone 2361.34
    n-butanol 806.25
    acetonitrile 875.34
    DMF 2740.45
    toluene 241.51
    isobutanol 612.95
    1,4-dioxane 1008.17
    methyl acetate 876.39
    THF 2121.08
    2-butanone 1244.79
    n-pentanol 514.49
    sec-butanol 642.32
    n-hexane 71.41
    ethylene glycol 338.25
    NMP 1867.18
    cyclohexane 78.21
    DMSO 4005.13
    n-butyl acetate 672.02
    n-octanol 161.22
    chloroform 1235.19
    n-propyl acetate 622.06
    acetic acid 1674.3
    dichloromethane 1528.49
    cyclohexanone 1373.45
    propylene glycol 421.44
    isopropyl acetate 521.45
    DMAc 1037.78
    2-ethoxyethanol 743.73
    isopentanol 612.44
    n-heptane 33.09
    ethyl formate 549.14
    1,2-dichloroethane 1351.2
    n-hexanol 492.29
    2-methoxyethanol 1605.78
    isobutyl acetate 331.28
    tetrachloromethane 187.44
    n-pentyl acetate 291.34
    transcutol 2714.14
    n-heptanol 153.31
    ethylbenzene 129.21
    MIBK 478.49
    2-propoxyethanol 810.44
    tert-butanol 999.99
    MTBE 696.76
    2-butoxyethanol 354.97
    propionic acid 933.18
    o-xylene 150.69
    formic acid 513.61
    diethyl ether 732.19
    m-xylene 190.06
    p-xylene 161.58
    chlorobenzene 439.65
    dimethyl carbonate 298.68
    n-octane 11.83
    formamide 784.57
    cyclopentanone 2104.45
    2-pentanone 1073.64
    anisole 356.37
    cyclopentyl methyl ether 935.93
    gamma-butyrolactone 2161.33
    1-methoxy-2-propanol 1095.81
    pyridine 994.24
    3-pentanone 631.22
    furfural 1247.72
    n-dodecane 10.43
    diethylene glycol 696.46
    diisopropyl ether 176.64
    tert-amyl alcohol 706.73
    acetylacetone 1037.94
    n-hexadecane 11.99
    acetophenone 363.7
    methyl propionate 846.29
    isopentyl acetate 543.96
    trichloroethylene 2312.31
    n-nonanol 133.24
    cyclohexanol 609.12
    benzyl alcohol 337.74
    2-ethylhexanol 249.47
    isooctanol 125.62
    dipropyl ether 280.99
    1,2-dichlorobenzene 414.71
    ethyl lactate 245.22
    propylene carbonate 842.47
    n-methylformamide 1273.33
    2-pentanol 483.06
    n-pentane 56.34
    1-propoxy-2-propanol 572.34
    1-methoxy-2-propyl acetate 571.2
    2-(2-methoxypropoxy) propanol 394.36
    mesitylene 128.73
    ε-caprolactone 986.1
    p-cymene 93.33
    epichlorohydrin 1974.64
    1,1,1-trichloroethane 931.09
    2-aminoethanol 645.12
    morpholine-4-carbaldehyde 1206.07
    sulfolane 2669.43
    2,2,4-trimethylpentane 32.6
    2-methyltetrahydrofuran 1569.32
    n-hexyl acetate 433.17
    isooctane 30.03
    2-(2-butoxyethoxy)ethanol 594.98
    sec-butyl acetate 361.55
    tert-butyl acetate 591.91
    decalin 45.8
    glycerin 526.3
    diglyme 983.99
    acrylic acid 808.7
    isopropyl myristate 133.9
    n-butyric acid 1213.74
    acetyl acetate 532.52
    di(2-ethylhexyl) phthalate 149.75
    ethyl propionate 471.29
    nitromethane 2344.95
    1,2-diethoxyethane 627.05
    benzonitrile 417.3
    trioctyl phosphate 103.72
    1-bromopropane 637.15
    gamma-valerolactone 1751.93
    n-decanol 96.22
    triethyl phosphate 160.19
    4-methyl-2-pentanol 237.14
    propionitrile 662.73
    vinylene carbonate 674.94
    1,1,2-trichlorotrifluoroethane 1292.48
    DMS 380.95
    cumene 98.02
    2-octanol 108.84
    2-hexanone 647.97
    octyl acetate 175.92
    limonene 155.15
    1,2-dimethoxyethane 1023.16
    ethyl orthosilicate 152.52
    tributyl phosphate 150.75
    diacetone alcohol 739.73
    N,N-dimethylaniline 230.06
    acrylonitrile 941.78
    aniline 425.05
    1,3-propanediol 829.79
    bromobenzene 438.9
    dibromomethane 982.28
    1,1,2,2-tetrachloroethane 1649.39
    2-methyl-cyclohexyl acetate 277.38
    tetrabutyl urea 198.14
    diisobutyl methanol 149.09
    2-phenylethanol 317.06
    styrene 188.68
    dioctyl adipate 237.02
    dimethyl sulfate 560.77
    ethyl butyrate 390.99
    methyl lactate 414.08
    butyl lactate 281.69
    diethyl carbonate 240.28
    propanediol butyl ether 449.92
    triethyl orthoformate 234.95
    p-tert-butyltoluene 95.29
    methyl 4-tert-butylbenzoate 278.93
    morpholine 1601.67
    tert-butylamine 543.03
    n-dodecanol 71.74
    dimethoxymethane 963.62
    ethylene carbonate 520.91
    cyrene 366.55
    2-ethoxyethyl acetate 465.48
    2-ethylhexyl acetate 377.53
    1,2,4-trichlorobenzene 488.15
    4-methylpyridine 844.32
    dibutyl ether 226.43
    2,6-dimethyl-4-heptanol 149.09
    DEF 1098.3
    dimethyl isosorbide 644.41
    tetrachloroethylene 1014.77
    eugenol 304.48
    triacetin 390.58
    span 80 364.31
    1,4-butanediol 294.77
    1,1-dichloroethane 1125.77
    2-methyl-1-pentanol 420.36
    methyl formate 741.46
    2-methyl-1-butanol 551.95
    n-decane 16.84
    butyronitrile 673.66
    3,7-dimethyl-1-octanol 188.99
    1-chlorooctane 102.43
    1-chlorotetradecane 40.07
    n-nonane 16.85
    undecane 12.9
    tert-butylcyclohexane 45.38
    cyclooctane 24.37
    cyclopentanol 841.58
    tetrahydropyran 1265.46
    tert-amyl methyl ether 447.47
    2,5,8-trioxanonane 649.77
    1-hexene 290.39
    2-isopropoxyethanol 497.03
    2,2,2-trifluoroethanol 375.26
    methyl butyrate 669.95

    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