(Z)-4-Hepten-1-yl acetate

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  • Identifiers

    Molecular formula
    C9H16O2

    SMILES
    CC/C=C\CCCOC(=O)C

  • Odor profile

    Green 93.33%
    Fruity 90.02%
    Tropical 59.99%
    Fresh 59.66%
    Apple 57.64%
    Melon 57.62%
    Pear 57.6%
    Vegetable 56.27%
    Sweet 54.53%
    Fatty 54.37%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    191°C

    Flash point est.
    75.29 ˚C

  • Synonyms

    • (Z)-4-Hepten-1-yl acetate
    • (Z)-hept-4-en-1-yl acetate
    • SCHEMBL17692439
    • LBUNBCQWMRAHCY-PLNGDYQASA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1459.32
    methanol 1575.16
    isopropanol 1116.55
    water 0.55
    ethyl acetate 715.64
    n-propanol 990.21
    acetone 1530.8
    n-butanol 900.44
    acetonitrile 883.39
    DMF 1818.67
    toluene 402.29
    isobutanol 727.8
    1,4-dioxane 1309.0
    methyl acetate 667.86
    THF 1814.89
    2-butanone 1000.53
    n-pentanol 688.71
    sec-butanol 899.09
    n-hexane 309.56
    ethylene glycol 261.52
    NMP 1440.28
    cyclohexane 210.87
    DMSO 2392.12
    n-butyl acetate 600.5
    n-octanol 284.83
    chloroform 1810.93
    n-propyl acetate 463.69
    acetic acid 1018.76
    dichloromethane 1637.47
    cyclohexanone 1328.27
    propylene glycol 449.92
    isopropyl acetate 461.89
    DMAc 1336.65
    2-ethoxyethanol 806.71
    isopentanol 734.24
    n-heptane 88.27
    ethyl formate 367.11
    1,2-dichloroethane 1044.11
    n-hexanol 642.76
    2-methoxyethanol 1270.07
    isobutyl acetate 314.88
    tetrachloromethane 275.17
    n-pentyl acetate 341.05
    transcutol 2918.36
    n-heptanol 209.06
    ethylbenzene 235.51
    MIBK 457.34
    2-propoxyethanol 895.8
    tert-butanol 1313.17
    MTBE 981.36
    2-butoxyethanol 391.51
    propionic acid 762.11
    o-xylene 256.38
    formic acid 264.97
    diethyl ether 1054.51
    m-xylene 291.8
    p-xylene 266.16
    chlorobenzene 485.56
    dimethyl carbonate 192.13
    n-octane 32.1
    formamide 344.17
    cyclopentanone 1379.47
    2-pentanone 853.15
    anisole 477.0
    cyclopentyl methyl ether 951.89
    gamma-butyrolactone 1198.57
    1-methoxy-2-propanol 1012.23
    pyridine 950.92
    3-pentanone 587.8
    furfural 868.2
    n-dodecane 26.09
    diethylene glycol 609.89
    diisopropyl ether 252.33
    tert-amyl alcohol 1040.08
    acetylacetone 770.66
    n-hexadecane 29.84
    acetophenone 410.69
    methyl propionate 550.98
    isopentyl acetate 536.01
    trichloroethylene 1596.84
    n-nonanol 233.22
    cyclohexanol 857.29
    benzyl alcohol 401.57
    2-ethylhexanol 367.06
    isooctanol 183.56
    dipropyl ether 411.43
    1,2-dichlorobenzene 429.83
    ethyl lactate 225.36
    propylene carbonate 555.44
    n-methylformamide 658.15
    2-pentanol 652.31
    n-pentane 166.86
    1-propoxy-2-propanol 655.53
    1-methoxy-2-propyl acetate 520.63
    2-(2-methoxypropoxy) propanol 540.87
    mesitylene 188.14
    ε-caprolactone 904.46
    p-cymene 136.62
    epichlorohydrin 1295.89
    1,1,1-trichloroethane 952.02
    2-aminoethanol 579.57
    morpholine-4-carbaldehyde 1138.95
    sulfolane 1737.62
    2,2,4-trimethylpentane 81.52
    2-methyltetrahydrofuran 1514.96
    n-hexyl acetate 552.45
    isooctane 59.48
    2-(2-butoxyethoxy)ethanol 727.27
    sec-butyl acetate 324.68
    tert-butyl acetate 559.46
    decalin 115.42
    glycerin 496.47
    diglyme 1105.28
    acrylic acid 565.85
    isopropyl myristate 200.07
    n-butyric acid 939.78
    acetyl acetate 392.75
    di(2-ethylhexyl) phthalate 205.43
    ethyl propionate 399.77
    nitromethane 1214.92
    1,2-diethoxyethane 798.22
    benzonitrile 486.6
    trioctyl phosphate 143.25
    1-bromopropane 867.43
    gamma-valerolactone 1253.71
    n-decanol 168.23
    triethyl phosphate 182.52
    4-methyl-2-pentanol 316.87
    propionitrile 693.04
    vinylene carbonate 473.94
    1,1,2-trichlorotrifluoroethane 983.35
    DMS 390.31
    cumene 162.61
    2-octanol 171.28
    2-hexanone 619.25
    octyl acetate 255.19
    limonene 241.55
    1,2-dimethoxyethane 1137.65
    ethyl orthosilicate 192.61
    tributyl phosphate 211.93
    diacetone alcohol 646.06
    N,N-dimethylaniline 340.73
    acrylonitrile 741.47
    aniline 569.73
    1,3-propanediol 681.5
    bromobenzene 542.89
    dibromomethane 1265.67
    1,1,2,2-tetrachloroethane 1524.15
    2-methyl-cyclohexyl acetate 339.4
    tetrabutyl urea 274.84
    diisobutyl methanol 191.11
    2-phenylethanol 359.49
    styrene 310.38
    dioctyl adipate 322.31
    dimethyl sulfate 395.11
    ethyl butyrate 367.09
    methyl lactate 313.16
    butyl lactate 305.37
    diethyl carbonate 237.78
    propanediol butyl ether 536.59
    triethyl orthoformate 260.88
    p-tert-butyltoluene 136.51
    methyl 4-tert-butylbenzoate 343.95
    morpholine 1752.6
    tert-butylamine 886.78
    n-dodecanol 127.04
    dimethoxymethane 746.33
    ethylene carbonate 383.38
    cyrene 429.1
    2-ethoxyethyl acetate 491.9
    2-ethylhexyl acetate 417.87
    1,2,4-trichlorobenzene 526.69
    4-methylpyridine 1007.12
    dibutyl ether 424.93
    2,6-dimethyl-4-heptanol 191.11
    DEF 894.74
    dimethyl isosorbide 719.84
    tetrachloroethylene 892.95
    eugenol 365.53
    triacetin 500.0
    span 80 480.81
    1,4-butanediol 312.98
    1,1-dichloroethane 1129.88
    2-methyl-1-pentanol 599.83
    methyl formate 387.18
    2-methyl-1-butanol 733.98
    n-decane 44.48
    butyronitrile 774.19
    3,7-dimethyl-1-octanol 307.98
    1-chlorooctane 200.16
    1-chlorotetradecane 77.04
    n-nonane 47.61
    undecane 32.9
    tert-butylcyclohexane 113.05
    cyclooctane 64.42
    cyclopentanol 877.15
    tetrahydropyran 1579.54
    tert-amyl methyl ether 680.63
    2,5,8-trioxanonane 811.74
    1-hexene 729.55
    2-isopropoxyethanol 588.27
    2,2,2-trifluoroethanol 233.13
    methyl butyrate 558.46

    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