1-Heptenyl acetate

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  • Identifiers

    CAS number
    35468-97-4

    Molecular formula
    C9H16O2

    SMILES
    CCCCCC=COC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 96.16%
    Green 92.52%
    Tropical 61.87%
    Apple 60.72%
    Melon 49.79%
    Waxy 48.84%
    Pear 48.72%
    Banana 48.03%
    Pineapple 47.74%
    Fresh 47.4%

     

    Flavor
    Green 64.12%
    Waxy 50.41%
    Fresh 46.72%
    Sweet 44.25%
    Fruity 43.18%
    Herbal 39.19%
    Floral 38.07%
    Fatty 34.28%
    Tropical 32.92%
    Rose 31.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.68 (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

    • 74.15 ˚C est.

  • Synonyms

    • 35468-97-4
    • 1-Hepten-1-ol, acetate
    • 1-Hepten-1-ol, 1-acetate
    • DTXSID00865772
    • 1-Heptenyl acetate
    • RefChem:1055512
    • DTXCID20814141
    • 252-583-8
    • hept-1-en-1-yl acetate
    • SCHEMBL1783706
    • SCHEMBL28617803
    • NS00057718
    • 35468-97-4

  • Applications

    1-Heptenyl acetate, CAS 35468-97-4, is commonly used as a fragrance ingredient and aroma chemical in perfumery and flavor applications, where its allylic ester structure contributes to characteristic notes and odorant properties. In cosmetics and personal care, it may be employed as an odorant component within fragrance formulations. It also serves as an industrial intermediate for the synthesis of other allyl esters and related specialty chemicals. In coatings and inks, it can act as a reactive diluent or precursor for ester-based additives. Its unsaturated ester functionality allows selective transformations under processing conditions, making it a versatile feedstock subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1679.84
    methanol 1858.07
    isopropanol 1082.81
    water 0.16
    ethyl acetate 845.21
    n-propanol 1022.61
    acetone 2065.06
    n-butanol 900.79
    acetonitrile 774.66
    DMF 2464.38
    toluene 382.36
    isobutanol 721.2
    1,4-dioxane 1238.44
    methyl acetate 699.46
    THF 2319.34
    2-butanone 1206.84
    n-pentanol 694.67
    sec-butanol 829.24
    n-hexane 206.56
    ethylene glycol 254.66
    NMP 1703.97
    cyclohexane 132.14
    DMSO 3198.66
    n-butyl acetate 746.48
    n-octanol 239.33
    chloroform 1597.13
    n-propyl acetate 560.89
    acetic acid 1066.69
    dichloromethane 1472.36
    cyclohexanone 1559.48
    propylene glycol 472.81
    isopropyl acetate 553.91
    DMAc 1408.11
    2-ethoxyethanol 787.77
    isopentanol 758.84
    n-heptane 53.12
    ethyl formate 426.58
    1,2-dichloroethane 1108.81
    n-hexanol 694.77
    2-methoxyethanol 1426.01
    isobutyl acetate 370.24
    tetrachloromethane 199.27
    n-pentyl acetate 350.93
    transcutol 3313.83
    n-heptanol 198.48
    ethylbenzene 206.69
    MIBK 556.84
    2-propoxyethanol 1021.13
    tert-butanol 1284.91
    MTBE 1016.22
    2-butoxyethanol 420.4
    propionic acid 759.38
    o-xylene 226.56
    formic acid 266.61
    diethyl ether 939.36
    m-xylene 279.27
    p-xylene 249.55
    chlorobenzene 485.23
    dimethyl carbonate 218.44
    n-octane 18.71
    formamide 378.91
    cyclopentanone 1843.01
    2-pentanone 1103.04
    anisole 468.99
    cyclopentyl methyl ether 1138.93
    gamma-butyrolactone 1541.65
    1-methoxy-2-propanol 1164.72
    pyridine 1052.43
    3-pentanone 629.69
    furfural 1015.13
    n-dodecane 14.32
    diethylene glycol 673.98
    diisopropyl ether 239.15
    tert-amyl alcohol 1003.54
    acetylacetone 998.88
    n-hexadecane 16.88
    acetophenone 416.58
    methyl propionate 667.99
    isopentyl acetate 666.6
    trichloroethylene 1781.93
    n-nonanol 197.54
    cyclohexanol 857.32
    benzyl alcohol 424.84
    2-ethylhexanol 377.88
    isooctanol 171.62
    dipropyl ether 395.9
    1,2-dichlorobenzene 426.96
    ethyl lactate 240.01
    propylene carbonate 674.91
    n-methylformamide 825.72
    2-pentanol 611.31
    n-pentane 102.67
    1-propoxy-2-propanol 761.68
    1-methoxy-2-propyl acetate 667.15
    2-(2-methoxypropoxy) propanol 553.63
    mesitylene 170.26
    ε-caprolactone 1049.89
    p-cymene 120.42
    epichlorohydrin 1642.71
    1,1,1-trichloroethane 911.74
    2-aminoethanol 573.18
    morpholine-4-carbaldehyde 1231.65
    sulfolane 2306.85
    2,2,4-trimethylpentane 54.5
    2-methyltetrahydrofuran 1760.97
    n-hexyl acetate 574.65
    isooctane 43.54
    2-(2-butoxyethoxy)ethanol 787.4
    sec-butyl acetate 375.48
    tert-butyl acetate 664.63
    decalin 84.01
    glycerin 519.26
    diglyme 1204.93
    acrylic acid 563.56
    isopropyl myristate 186.94
    n-butyric acid 1012.65
    acetyl acetate 427.27
    di(2-ethylhexyl) phthalate 203.8
    ethyl propionate 465.42
    nitromethane 1402.47
    1,2-diethoxyethane 846.27
    benzonitrile 489.41
    trioctyl phosphate 136.31
    1-bromopropane 773.88
    gamma-valerolactone 1663.57
    n-decanol 141.79
    triethyl phosphate 177.35
    4-methyl-2-pentanol 318.97
    propionitrile 620.85
    vinylene carbonate 550.69
    1,1,2-trichlorotrifluoroethane 1175.73
    DMS 399.97
    cumene 146.91
    2-octanol 151.71
    2-hexanone 764.61
    octyl acetate 240.08
    limonene 219.76
    1,2-dimethoxyethane 1246.71
    ethyl orthosilicate 181.81
    tributyl phosphate 204.9
    diacetone alcohol 808.08
    N,N-dimethylaniline 326.21
    acrylonitrile 725.02
    aniline 587.92
    1,3-propanediol 719.0
    bromobenzene 535.35
    dibromomethane 1141.53
    1,1,2,2-tetrachloroethane 1634.43
    2-methyl-cyclohexyl acetate 358.83
    tetrabutyl urea 262.24
    diisobutyl methanol 186.13
    2-phenylethanol 405.38
    styrene 291.28
    dioctyl adipate 323.86
    dimethyl sulfate 453.28
    ethyl butyrate 404.1
    methyl lactate 368.52
    butyl lactate 329.68
    diethyl carbonate 244.68
    propanediol butyl ether 585.18
    triethyl orthoformate 271.18
    p-tert-butyltoluene 123.43
    methyl 4-tert-butylbenzoate 340.12
    morpholine 1871.15
    tert-butylamine 767.67
    n-dodecanol 103.79
    dimethoxymethane 925.41
    ethylene carbonate 451.61
    cyrene 433.8
    2-ethoxyethyl acetate 528.95
    2-ethylhexyl acetate 485.45
    1,2,4-trichlorobenzene 522.93
    4-methylpyridine 1072.12
    dibutyl ether 383.8
    2,6-dimethyl-4-heptanol 186.13
    DEF 1031.75
    dimethyl isosorbide 825.76
    tetrachloroethylene 906.24
    eugenol 362.33
    triacetin 488.33
    span 80 500.65
    1,4-butanediol 306.31
    1,1-dichloroethane 1104.04
    2-methyl-1-pentanol 611.29
    methyl formate 475.9
    2-methyl-1-butanol 691.09
    n-decane 26.11
    butyronitrile 773.52
    3,7-dimethyl-1-octanol 287.0
    1-chlorooctane 151.56
    1-chlorotetradecane 54.73
    n-nonane 28.02
    undecane 18.56
    tert-butylcyclohexane 87.42
    cyclooctane 38.78
    cyclopentanol 937.85
    tetrahydropyran 1625.89
    tert-amyl methyl ether 685.89
    2,5,8-trioxanonane 816.94
    1-hexene 651.33
    2-isopropoxyethanol 599.08
    2,2,2-trifluoroethanol 211.47
    methyl butyrate 660.69

    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