2-Heptenyl acetate, (2E)-

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  • Identifiers

    CAS number
    16939-73-4

    Molecular formula
    C9H16O2

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

  • Odor profile

    Fragrance
    Fruity 92.21%
    Green 89.99%
    Fatty 64.92%
    Waxy 63.68%
    Pear 63.5%
    Tropical 58.73%
    Melon 57.77%
    Apple 57.39%
    Fresh 55.62%
    Banana 53.28%

     

    Flavor
    Green 76.81%
    Fresh 56.27%
    Waxy 53.48%
    Sweet 46.49%
    Fruity 45.81%
    Apple 41.51%
    Banana 38.96%
    Pear 38.22%
    Tropical 37.37%
    Fruit 35.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.77 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 192.00 to 193.00 °C. @ 760.00 mm Hg

    Flash point

    • 78.18 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • 16939-73-4
    • ACETIC ACID TRANS-2-HEPTEN-1-YL ESTER
    • trans-2-Heptenyl acetate
    • (E)-2-Heptenyl acetate
    • 2-Heptenyl acetate
    • [(E)-hept-2-enyl] acetate
    • (E)-Hept-2-enyl acetate
    • 2-Heptenyl acetate, (2E)-
    • Hept-trans-2-en-1-yl acetate
    • 2E-Heptenyl acetate
    • 1576-79-0
    • 2-Hepten-1-ol, acetate, (E)-
    • (2E)-2-Heptenyl acetate
    • 2-Hepten-1-ol, acetate, (2E)-
    • 2-Hepten-1-ol, 1-acetate, (2E)-
    • 1LW02YZ45Q
    • EINECS 241-002-3
    • FEMA NO. 4125
    • DTXSID101015449
    • HEPT-TRANS-2-EN-1-YL ACETATE [FHFI]
    • 2-Hepten-1-ol,1-acetate
    • UNII-1LW02YZ45Q
    • MFCD00036584
    • ACETICACIDTRANS-2-HEPTEN-1-YLESTER
    • trans-Hept-2-enyl Acetate
    • Acetate(E)-2-Hepten-1-ol
    • SCHEMBL808759
    • SCHEMBL808761
    • Acetate(2E)-2-Hepten-1-ol
    • (E)-hept-2-en-1-yl acetate
    • AWCPMVVOGVEPRC-VOTSOKGWSA-
    • DTXCID60909666
    • 1-Acetate(2E)-2-Hepten-1-ol
    • CHEBI:171767
    • Acetic Acid trans-2-Heptenyl Ester
    • LMFA07010185
    • AKOS015914796
    • A1145
    • CS-0448063
    • NS00053711
    • Q27252588
    • InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
    • 241-002-3

  • Applications

    2-Heptenyl acetate, (2E)- (CAS number: 16939-73-4) is an alkenyl acetate used primarily as a fragrance ingredient; in perfumery, cosmetics, and household products it provides fresh, fruity notes and serves as an aroma component. It may also be used as an intermediate in the synthesis of other fragrance compounds in industrial manufacturing, and in flavor/aroma applications it may be evaluated as a low-level aroma additive in formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2091.9
    methanol 2279.22
    isopropanol 1424.89
    water 0.51
    ethyl acetate 827.71
    n-propanol 1309.7
    acetone 1926.1
    n-butanol 1094.64
    acetonitrile 925.76
    DMF 2094.73
    toluene 367.74
    isobutanol 867.04
    1,4-dioxane 1425.07
    methyl acetate 704.37
    THF 1988.1
    2-butanone 1077.85
    n-pentanol 776.3
    sec-butanol 1004.02
    n-hexane 214.41
    ethylene glycol 351.57
    NMP 1394.64
    cyclohexane 166.6
    DMSO 2818.23
    n-butyl acetate 651.03
    n-octanol 255.48
    chloroform 1829.74
    n-propyl acetate 506.63
    acetic acid 1272.42
    dichloromethane 1582.19
    cyclohexanone 1375.77
    propylene glycol 641.49
    isopropyl acetate 513.4
    DMAc 1296.35
    2-ethoxyethanol 908.21
    isopentanol 829.36
    n-heptane 60.53
    ethyl formate 421.66
    1,2-dichloroethane 1041.09
    n-hexanol 684.56
    2-methoxyethanol 1579.3
    isobutyl acetate 322.7
    tetrachloromethane 245.75
    n-pentyl acetate 320.37
    transcutol 3149.18
    n-heptanol 204.55
    ethylbenzene 197.87
    MIBK 468.06
    2-propoxyethanol 967.56
    tert-butanol 1534.16
    MTBE 995.24
    2-butoxyethanol 406.51
    propionic acid 873.95
    o-xylene 223.81
    formic acid 339.65
    diethyl ether 985.57
    m-xylene 258.46
    p-xylene 241.11
    chlorobenzene 447.95
    dimethyl carbonate 198.62
    n-octane 20.66
    formamide 451.35
    cyclopentanone 1467.27
    2-pentanone 936.95
    anisole 449.22
    cyclopentyl methyl ether 990.18
    gamma-butyrolactone 1293.78
    1-methoxy-2-propanol 1167.59
    pyridine 1047.88
    3-pentanone 571.36
    furfural 932.41
    n-dodecane 16.24
    diethylene glycol 696.31
    diisopropyl ether 225.34
    tert-amyl alcohol 1148.45
    acetylacetone 856.74
    n-hexadecane 18.41
    acetophenone 388.68
    methyl propionate 610.19
    isopentyl acetate 564.48
    trichloroethylene 1741.0
    n-nonanol 208.52
    cyclohexanol 957.95
    benzyl alcohol 431.39
    2-ethylhexanol 366.7
    isooctanol 174.45
    dipropyl ether 384.25
    1,2-dichlorobenzene 403.2
    ethyl lactate 242.15
    propylene carbonate 596.11
    n-methylformamide 799.34
    2-pentanol 697.98
    n-pentane 120.96
    1-propoxy-2-propanol 708.54
    1-methoxy-2-propyl acetate 573.14
    2-(2-methoxypropoxy) propanol 532.76
    mesitylene 156.3
    ε-caprolactone 931.92
    p-cymene 117.24
    epichlorohydrin 1407.08
    1,1,1-trichloroethane 946.06
    2-aminoethanol 782.06
    morpholine-4-carbaldehyde 1142.28
    sulfolane 1811.13
    2,2,4-trimethylpentane 59.25
    2-methyltetrahydrofuran 1588.45
    n-hexyl acetate 508.24
    isooctane 43.04
    2-(2-butoxyethoxy)ethanol 749.07
    sec-butyl acetate 337.06
    tert-butyl acetate 592.1
    decalin 86.16
    glycerin 637.7
    diglyme 1147.47
    acrylic acid 639.73
    isopropyl myristate 171.83
    n-butyric acid 1111.38
    acetyl acetate 440.7
    di(2-ethylhexyl) phthalate 187.0
    ethyl propionate 415.6
    nitromethane 1436.7
    1,2-diethoxyethane 789.89
    benzonitrile 482.99
    trioctyl phosphate 126.75
    1-bromopropane 762.14
    gamma-valerolactone 1375.11
    n-decanol 149.54
    triethyl phosphate 173.39
    4-methyl-2-pentanol 330.71
    propionitrile 694.73
    vinylene carbonate 509.44
    1,1,2-trichlorotrifluoroethane 1163.84
    DMS 374.83
    cumene 138.97
    2-octanol 156.29
    2-hexanone 636.52
    octyl acetate 221.43
    limonene 211.68
    1,2-dimethoxyethane 1220.96
    ethyl orthosilicate 175.97
    tributyl phosphate 188.67
    diacetone alcohol 722.16
    N,N-dimethylaniline 302.85
    acrylonitrile 768.21
    aniline 608.9
    1,3-propanediol 902.31
    bromobenzene 486.54
    dibromomethane 1209.96
    1,1,2,2-tetrachloroethane 1638.46
    2-methyl-cyclohexyl acetate 325.49
    tetrabutyl urea 243.13
    diisobutyl methanol 182.49
    2-phenylethanol 383.43
    styrene 278.65
    dioctyl adipate 296.03
    dimethyl sulfate 393.19
    ethyl butyrate 384.08
    methyl lactate 362.69
    butyl lactate 309.87
    diethyl carbonate 241.19
    propanediol butyl ether 578.5
    triethyl orthoformate 259.73
    p-tert-butyltoluene 119.35
    methyl 4-tert-butylbenzoate 322.31
    morpholine 2016.92
    tert-butylamine 930.14
    n-dodecanol 110.02
    dimethoxymethane 817.57
    ethylene carbonate 427.06
    cyrene 419.45
    2-ethoxyethyl acetate 478.01
    2-ethylhexyl acetate 412.44
    1,2,4-trichlorobenzene 496.92
    4-methylpyridine 1019.53
    dibutyl ether 373.34
    2,6-dimethyl-4-heptanol 182.49
    DEF 933.36
    dimethyl isosorbide 722.71
    tetrachloroethylene 941.75
    eugenol 352.68
    triacetin 480.79
    span 80 478.5
    1,4-butanediol 381.08
    1,1-dichloroethane 1109.49
    2-methyl-1-pentanol 639.81
    methyl formate 443.2
    2-methyl-1-butanol 788.88
    n-decane 28.77
    butyronitrile 802.43
    3,7-dimethyl-1-octanol 278.82
    1-chlorooctane 153.48
    1-chlorotetradecane 56.7
    n-nonane 30.81
    undecane 20.76
    tert-butylcyclohexane 84.57
    cyclooctane 44.47
    cyclopentanol 973.98
    tetrahydropyran 1639.63
    tert-amyl methyl ether 649.49
    2,5,8-trioxanonane 814.05
    1-hexene 627.08
    2-isopropoxyethanol 617.58
    2,2,2-trifluoroethanol 257.2
    methyl butyrate 593.53

    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