Hept-4-en-2-yl acetate

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  • Identifiers

    CAS number
    94088-33-2

    Molecular formula
    C9H16O2

    SMILES
    CCC=CCC(C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Green 91.69%
    Fruity 85.78%
    Tropical 55.96%
    Melon 51.48%
    Apple 50.4%
    Pear 47.86%
    Fresh 45.88%
    Vegetable 45.81%
    Banana 40.91%
    Fatty 40.12%

     

    Flavor
    Fruity 54.12%
    Green 53.32%
    Tropical 47.01%
    Fresh 45.75%
    Sweet 36.76%
    Herbal 35.96%
    Floral 35.35%
    Oily 30.61%
    Melon 26.76%
    Citrus 26.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.73 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    172°C

    Flash point

    • 68.79 ˚C est.

  • Synonyms

    • hept-4-en-2-yl acetate
    • 94088-33-2
    • (Z)-4-hepten-2-yl acetate
    • SCHEMBL29011306
    • 94088-33-2

  • Applications

    Hept-4-en-2-yl acetate (CAS number: 94088-33-2) is used in real-world applications primarily as a fragrance ingredient and aroma chemical in perfumery and cosmetics, where its alkenyl acetate structure contributes to specific scent notes and allows formulation of scented personal care products. It may also serve as a solvent or co-solvent component in formulations for coatings, inks, and household products, aiding solubility and evaporation control. As an organic synthesis intermediate, it is commonly evaluated for preparing other specialty chemicals, including fragrance and flavor derivatives. In industrial manufacturing, it can act as a reactive diluent or additive in coatings and adhesives, and it may serve as a precursor in polymer or materials development. In some cases it is considered for use as a fixative or odorant component in scent delivery systems, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1602.56
    methanol 1819.68
    isopropanol 1275.08
    water 3.51
    ethyl acetate 774.62
    n-propanol 1143.35
    acetone 1355.08
    n-butanol 1090.39
    acetonitrile 881.65
    DMF 1706.33
    toluene 460.51
    isobutanol 849.17
    1,4-dioxane 1520.37
    methyl acetate 697.92
    THF 2028.41
    2-butanone 845.44
    n-pentanol 733.98
    sec-butanol 1081.99
    n-hexane 387.94
    ethylene glycol 369.57
    NMP 1659.92
    cyclohexane 367.11
    DMSO 1628.27
    n-butyl acetate 552.79
    n-octanol 403.26
    chloroform 2012.0
    n-propyl acetate 375.2
    acetic acid 1441.51
    dichloromethane 1543.22
    cyclohexanone 1373.49
    propylene glycol 569.63
    isopropyl acetate 499.47
    DMAc 1448.9
    2-ethoxyethanol 739.62
    isopentanol 891.57
    n-heptane 129.2
    ethyl formate 427.64
    1,2-dichloroethane 913.67
    n-hexanol 883.18
    2-methoxyethanol 1371.91
    isobutyl acetate 267.16
    tetrachloromethane 320.17
    n-pentyl acetate 362.93
    transcutol 2382.86
    n-heptanol 279.89
    ethylbenzene 248.67
    MIBK 475.69
    2-propoxyethanol 1065.74
    tert-butanol 1472.76
    MTBE 1035.38
    2-butoxyethanol 431.63
    propionic acid 919.84
    o-xylene 296.61
    formic acid 433.44
    diethyl ether 1041.24
    m-xylene 348.65
    p-xylene 299.34
    chlorobenzene 568.97
    dimethyl carbonate 244.1
    n-octane 46.78
    formamide 431.99
    cyclopentanone 1321.04
    2-pentanone 802.23
    anisole 445.06
    cyclopentyl methyl ether 1099.0
    gamma-butyrolactone 1397.16
    1-methoxy-2-propanol 1124.64
    pyridine 886.4
    3-pentanone 573.41
    furfural 956.46
    n-dodecane 41.96
    diethylene glycol 713.69
    diisopropyl ether 303.79
    tert-amyl alcohol 1199.32
    acetylacetone 763.02
    n-hexadecane 47.04
    acetophenone 381.75
    methyl propionate 603.48
    isopentyl acetate 508.4
    trichloroethylene 1488.54
    n-nonanol 331.72
    cyclohexanol 1132.96
    benzyl alcohol 414.88
    2-ethylhexanol 450.98
    isooctanol 223.86
    dipropyl ether 428.07
    1,2-dichlorobenzene 455.44
    ethyl lactate 221.4
    propylene carbonate 709.59
    n-methylformamide 709.7
    2-pentanol 784.16
    n-pentane 267.13
    1-propoxy-2-propanol 705.49
    1-methoxy-2-propyl acetate 533.56
    2-(2-methoxypropoxy) propanol 558.21
    mesitylene 220.05
    ε-caprolactone 1075.53
    p-cymene 154.93
    epichlorohydrin 1264.71
    1,1,1-trichloroethane 957.99
    2-aminoethanol 698.27
    morpholine-4-carbaldehyde 1325.9
    sulfolane 1651.84
    2,2,4-trimethylpentane 114.48
    2-methyltetrahydrofuran 1622.5
    n-hexyl acetate 680.21
    isooctane 79.59
    2-(2-butoxyethoxy)ethanol 736.66
    sec-butyl acetate 293.74
    tert-butyl acetate 577.99
    decalin 153.79
    glycerin 645.55
    diglyme 1028.43
    acrylic acid 710.76
    isopropyl myristate 237.12
    n-butyric acid 1081.68
    acetyl acetate 470.5
    di(2-ethylhexyl) phthalate 246.51
    ethyl propionate 362.78
    nitromethane 1327.77
    1,2-diethoxyethane 689.52
    benzonitrile 520.09
    trioctyl phosphate 170.62
    1-bromopropane 792.95
    gamma-valerolactone 1445.37
    n-decanol 239.6
    triethyl phosphate 189.06
    4-methyl-2-pentanol 385.97
    propionitrile 684.09
    vinylene carbonate 611.37
    1,1,2-trichlorotrifluoroethane 959.72
    DMS 418.0
    cumene 180.32
    2-octanol 226.29
    2-hexanone 495.11
    octyl acetate 311.81
    limonene 301.77
    1,2-dimethoxyethane 1111.82
    ethyl orthosilicate 195.28
    tributyl phosphate 229.9
    diacetone alcohol 655.24
    N,N-dimethylaniline 335.62
    acrylonitrile 724.6
    aniline 588.09
    1,3-propanediol 806.05
    bromobenzene 612.4
    dibromomethane 1184.03
    1,1,2,2-tetrachloroethane 1417.2
    2-methyl-cyclohexyl acetate 344.1
    tetrabutyl urea 300.1
    diisobutyl methanol 217.93
    2-phenylethanol 414.8
    styrene 303.23
    dioctyl adipate 347.93
    dimethyl sulfate 433.78
    ethyl butyrate 334.61
    methyl lactate 365.69
    butyl lactate 304.48
    diethyl carbonate 232.53
    propanediol butyl ether 591.75
    triethyl orthoformate 256.18
    p-tert-butyltoluene 159.16
    methyl 4-tert-butylbenzoate 385.36
    morpholine 1830.58
    tert-butylamine 999.18
    n-dodecanol 178.08
    dimethoxymethane 834.27
    ethylene carbonate 521.27
    cyrene 444.9
    2-ethoxyethyl acetate 467.7
    2-ethylhexyl acetate 398.93
    1,2,4-trichlorobenzene 545.15
    4-methylpyridine 1015.2
    dibutyl ether 464.5
    2,6-dimethyl-4-heptanol 217.93
    DEF 906.25
    dimethyl isosorbide 777.4
    tetrachloroethylene 835.89
    eugenol 365.3
    triacetin 549.14
    span 80 537.89
    1,4-butanediol 355.01
    1,1-dichloroethane 1113.22
    2-methyl-1-pentanol 653.15
    methyl formate 480.37
    2-methyl-1-butanol 875.78
    n-decane 70.41
    butyronitrile 807.59
    3,7-dimethyl-1-octanol 403.36
    1-chlorooctane 278.72
    1-chlorotetradecane 105.46
    n-nonane 75.75
    undecane 52.29
    tert-butylcyclohexane 147.37
    cyclooctane 108.15
    cyclopentanol 1124.17
    tetrahydropyran 1695.38
    tert-amyl methyl ether 781.7
    2,5,8-trioxanonane 779.92
    1-hexene 777.95
    2-isopropoxyethanol 536.15
    2,2,2-trifluoroethanol 333.35
    methyl butyrate 475.09

    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