cis-3-Heptenyl acetate

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  • Identifiers

    CAS number
    1576-78-9

    Molecular formula
    C9H16O2

    SMILES
    CCC/C=C\CCOC(=O)C

  • Odor profile

    Fragrance
    Green 92.94%
    Fruity 91.78%
    Pear 62.19%
    Tropical 61.85%
    Fresh 61.55%
    Apple 60.53%
    Sweet 60.07%
    Melon 58.14%
    Banana 55.81%
    Waxy 54.18%

     

    Flavor
    Green 73.52%
    Fresh 62.23%
    Fruity 51.21%
    Sweet 49.63%
    Waxy 48.3%
    Apple 43.5%
    Banana 40.62%
    Pear 39.93%
    Tropical 38.6%
    Rose 34.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.75 (weak base)

    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

    • 75.93 ˚C est.

  • Synonyms

    • 1576-78-9
    • cis-3-Heptenyl acetate
    • [(Z)-hept-3-enyl] acetate
    • 3-Hepten-1-ol, 1-acetate, (3E)-
    • 3-Hepten-1-ol, acetate, (3Z)-
    • (Z)-3-hepten-1-yl acetate
    • (3Z)-3-Hepten-1-ol acetate
    • (Z)-3-Heptenyl acetate
    • KGK6YAA7S7
    • 3-Heptenyl acetate, cis-
    • 3-Heptenyl acetate, (3Z)-
    • SCHEMBL17627773
    • AKOS006273380
    • DB-318926
    • Q63391564

  • Applications

    cis-3-Heptenyl acetate (CAS number: 1576-78-9) is a fragrance-related ester used in perfumery as a green, leafy odorant that contributes fresh, natural notes and commonly serves as a fragrance ingredient in cosmetics and personal care products. It may also be used as a flavor/aroma component in food and beverage applications to impart green, herbaceous notes. In industrial manufacturing, it can function as an intermediate for the synthesis of other fragrance compounds or as a building block in scent-related processes. In household products, it is employed as a fragrance additive to provide a bright, green note in cleaners, detergents, and surface-care formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1540.43
    methanol 1710.89
    isopropanol 1120.65
    water 0.58
    ethyl acetate 702.05
    n-propanol 1020.5
    acetone 1632.26
    n-butanol 923.93
    acetonitrile 839.0
    DMF 1987.67
    toluene 373.81
    isobutanol 732.23
    1,4-dioxane 1257.9
    methyl acetate 654.69
    THF 1832.88
    2-butanone 997.94
    n-pentanol 683.18
    sec-butanol 860.75
    n-hexane 273.36
    ethylene glycol 296.83
    NMP 1520.15
    cyclohexane 187.27
    DMSO 2615.29
    n-butyl acetate 593.2
    n-octanol 255.95
    chloroform 1727.1
    n-propyl acetate 451.48
    acetic acid 1111.61
    dichloromethane 1534.24
    cyclohexanone 1328.36
    propylene glycol 499.2
    isopropyl acetate 452.1
    DMAc 1404.86
    2-ethoxyethanol 813.09
    isopentanol 721.05
    n-heptane 73.91
    ethyl formate 362.17
    1,2-dichloroethane 1014.74
    n-hexanol 615.14
    2-methoxyethanol 1329.26
    isobutyl acetate 307.37
    tetrachloromethane 256.28
    n-pentyl acetate 318.4
    transcutol 3103.63
    n-heptanol 190.72
    ethylbenzene 211.24
    MIBK 442.26
    2-propoxyethanol 906.55
    tert-butanol 1286.67
    MTBE 959.8
    2-butoxyethanol 381.43
    propionic acid 771.44
    o-xylene 236.51
    formic acid 306.19
    diethyl ether 989.4
    m-xylene 271.35
    p-xylene 243.65
    chlorobenzene 465.11
    dimethyl carbonate 196.77
    n-octane 25.15
    formamide 393.07
    cyclopentanone 1411.1
    2-pentanone 857.83
    anisole 459.07
    cyclopentyl methyl ether 953.83
    gamma-butyrolactone 1216.69
    1-methoxy-2-propanol 1024.36
    pyridine 964.95
    3-pentanone 576.05
    furfural 891.22
    n-dodecane 20.28
    diethylene glycol 635.74
    diisopropyl ether 235.49
    tert-amyl alcohol 995.63
    acetylacetone 793.85
    n-hexadecane 23.21
    acetophenone 400.91
    methyl propionate 561.81
    isopentyl acetate 530.48
    trichloroethylene 1601.46
    n-nonanol 210.78
    cyclohexanol 842.28
    benzyl alcohol 393.87
    2-ethylhexanol 347.92
    isooctanol 165.77
    dipropyl ether 384.96
    1,2-dichlorobenzene 412.65
    ethyl lactate 219.96
    propylene carbonate 559.39
    n-methylformamide 711.96
    2-pentanol 625.62
    n-pentane 146.38
    1-propoxy-2-propanol 648.25
    1-methoxy-2-propyl acetate 523.33
    2-(2-methoxypropoxy) propanol 525.98
    mesitylene 172.68
    ε-caprolactone 900.52
    p-cymene 123.86
    epichlorohydrin 1286.58
    1,1,1-trichloroethane 902.68
    2-aminoethanol 630.67
    morpholine-4-carbaldehyde 1163.28
    sulfolane 1800.36
    2,2,4-trimethylpentane 71.75
    2-methyltetrahydrofuran 1507.77
    n-hexyl acetate 513.98
    isooctane 51.93
    2-(2-butoxyethoxy)ethanol 718.36
    sec-butyl acetate 313.29
    tert-butyl acetate 551.09
    decalin 103.06
    glycerin 555.96
    diglyme 1097.63
    acrylic acid 588.86
    isopropyl myristate 180.65
    n-butyric acid 945.21
    acetyl acetate 395.54
    di(2-ethylhexyl) phthalate 194.98
    ethyl propionate 388.59
    nitromethane 1296.51
    1,2-diethoxyethane 780.05
    benzonitrile 464.66
    trioctyl phosphate 132.77
    1-bromopropane 789.05
    gamma-valerolactone 1304.12
    n-decanol 150.18
    triethyl phosphate 176.26
    4-methyl-2-pentanol 302.01
    propionitrile 653.45
    vinylene carbonate 470.86
    1,1,2-trichlorotrifluoroethane 1065.35
    DMS 385.54
    cumene 145.54
    2-octanol 151.13
    2-hexanone 603.66
    octyl acetate 233.03
    limonene 225.43
    1,2-dimethoxyethane 1136.83
    ethyl orthosilicate 183.75
    tributyl phosphate 199.22
    diacetone alcohol 658.76
    N,N-dimethylaniline 321.67
    acrylonitrile 712.69
    aniline 566.84
    1,3-propanediol 725.51
    bromobenzene 510.93
    dibromomethane 1169.2
    1,1,2,2-tetrachloroethane 1535.0
    2-methyl-cyclohexyl acetate 329.39
    tetrabutyl urea 258.61
    diisobutyl methanol 179.79
    2-phenylethanol 349.96
    styrene 284.45
    dioctyl adipate 306.37
    dimethyl sulfate 406.37
    ethyl butyrate 351.85
    methyl lactate 329.23
    butyl lactate 298.58
    diethyl carbonate 232.27
    propanediol butyl ether 540.57
    triethyl orthoformate 254.36
    p-tert-butyltoluene 125.34
    methyl 4-tert-butylbenzoate 329.36
    morpholine 1770.03
    tert-butylamine 843.39
    n-dodecanol 112.14
    dimethoxymethane 767.29
    ethylene carbonate 386.76
    cyrene 427.49
    2-ethoxyethyl acetate 472.65
    2-ethylhexyl acetate 408.84
    1,2,4-trichlorobenzene 512.63
    4-methylpyridine 979.0
    dibutyl ether 383.05
    2,6-dimethyl-4-heptanol 179.79
    DEF 897.72
    dimethyl isosorbide 717.84
    tetrachloroethylene 897.06
    eugenol 349.08
    triacetin 484.55
    span 80 468.18
    1,4-butanediol 327.68
    1,1-dichloroethane 1055.29
    2-methyl-1-pentanol 576.02
    methyl formate 399.07
    2-methyl-1-butanol 711.16
    n-decane 35.11
    butyronitrile 727.04
    3,7-dimethyl-1-octanol 279.85
    1-chlorooctane 171.05
    1-chlorotetradecane 65.04
    n-nonane 37.71
    undecane 25.7
    tert-butylcyclohexane 99.31
    cyclooctane 55.81
    cyclopentanol 872.62
    tetrahydropyran 1529.25
    tert-amyl methyl ether 655.4
    2,5,8-trioxanonane 800.06
    1-hexene 657.39
    2-isopropoxyethanol 576.05
    2,2,2-trifluoroethanol 247.9
    methyl butyrate 536.16

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.88 %
Category 2
Products applied to the axillae
 0.023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.88 %
Category 3
Products applied to the face/body using fingertips
 0.46 % Category 8
Products with significant anogenital exposure
 0.037 %
Category 4
Products related to fine fragrance
 0.43 % Category 9
Products with body and hand exposure, primarily rinse off
 0.84 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.11 % Category 10A
Household care products with mostly hand contact
 3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.11 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.11 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.037 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.037 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.037 %
Category 6
Products with oral and lip exposure
 0.25 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction