1-Octen-3-YL propionate

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  • Identifiers

    CAS number
    107697-91-6

    Molecular formula
    C11H20O2

    SMILES
    CCCCCC(C=C)OC(=O)CC

  • Odor profile

    Fragrance
    Fruity 68.7%
    Green 64.77%
    Mushroom 51.16%
    Earthy 46.06%
    Waxy 43.94%
    Oily 42.45%
    Tropical 41.1%
    Metallic 39.29%
    Fatty 38.87%
    Sweet 37.61%

     

    Flavor
    Fruity 80.22%
    Green 53.43%
    Tropical 43.02%
    Oily 37.99%
    Mushroom 34.14%
    Fresh 33.77%
    Herbal 33.39%
    Floral 32.21%
    Apple 29.27%
    Waxy 29.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.09 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point

    • 82.81 ˚C est.

  • Synonyms

    • 1-OCTEN-3-YL PROPIONATE
    • oct-1-en-3-yl propanoate
    • 107697-91-6
    • 63156-02-5
    • 1-Octen-3-ol,propanoate, (R)- (9CI)
    • 1-Octen-3-yl-n-propionate
    • 1-OCTEN-3-OL PROPIONATE
    • 1-octen-3-ylpropionate
    • 1-Octenyl-3-propanoate
    • 1-Pentyl-2-propenyl propionate #
    • DTXSID801024598
    • AKOS006274656

  • Applications

    1-Octen-3-YL propionate (CAS 107697-91-6) is commonly used as a fragrance ingredient and odorant in perfumery and cosmetics, contributing green, fruity, and light mushroom-like notes associated with the octenyl backbone. It may also be evaluated for flavor applications in restricted food contexts with appropriate regulatory clearance. In household and cleaning products, it serves as a fragrance additive in items such as surface cleaners, detergents, and air fresheners. Additionally, 1-Octen-3-YL propionate can be used as an intermediate in organic synthesis for industrial products and may be added to coatings and inks to modulate or impart aroma.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5481.2
    methanol 5757.15
    isopropanol 4751.91
    water 0.26
    ethyl acetate 5147.97
    n-propanol 4405.92
    acetone 7003.19
    n-butanol 4308.9
    acetonitrile 4250.32
    DMF 5460.02
    toluene 2303.81
    isobutanol 3730.32
    1,4-dioxane 4807.97
    methyl acetate 3524.34
    THF 6667.5
    2-butanone 5314.51
    n-pentanol 3369.81
    sec-butanol 4949.07
    n-hexane 1574.87
    ethylene glycol 340.03
    NMP 4158.85
    cyclohexane 1611.18
    DMSO 4887.47
    n-butyl acetate 5368.93
    n-octanol 1503.7
    chloroform 8091.37
    n-propyl acetate 3405.32
    acetic acid 3010.36
    dichloromethane 7797.84
    cyclohexanone 7054.73
    propylene glycol 694.73
    isopropyl acetate 3461.94
    DMAc 3915.1
    2-ethoxyethanol 2415.49
    isopentanol 4107.85
    n-heptane 538.69
    ethyl formate 2554.34
    1,2-dichloroethane 5230.65
    n-hexanol 3771.83
    2-methoxyethanol 3365.37
    isobutyl acetate 2059.26
    tetrachloromethane 1300.33
    n-pentyl acetate 2609.54
    transcutol 7165.36
    n-heptanol 1265.91
    ethylbenzene 1537.17
    MIBK 2601.5
    2-propoxyethanol 3613.65
    tert-butanol 5091.81
    MTBE 6181.51
    2-butoxyethanol 1709.03
    propionic acid 2478.65
    o-xylene 1402.77
    formic acid 557.87
    diethyl ether 5944.13
    m-xylene 1467.65
    p-xylene 1896.47
    chlorobenzene 3037.18
    dimethyl carbonate 801.5
    n-octane 234.3
    formamide 823.78
    cyclopentanone 5441.98
    2-pentanone 4968.07
    anisole 2225.95
    cyclopentyl methyl ether 3883.16
    gamma-butyrolactone 4841.27
    1-methoxy-2-propanol 2774.27
    pyridine 5289.57
    3-pentanone 3035.41
    furfural 3443.98
    n-dodecane 152.61
    diethylene glycol 1520.94
    diisopropyl ether 1659.94
    tert-amyl alcohol 5153.73
    acetylacetone 3630.17
    n-hexadecane 180.12
    acetophenone 1944.86
    methyl propionate 2754.18
    isopentyl acetate 4408.08
    trichloroethylene 8308.47
    n-nonanol 1235.48
    cyclohexanol 4221.5
    benzyl alcohol 1689.78
    2-ethylhexanol 2296.36
    isooctanol 1102.18
    dipropyl ether 2511.3
    1,2-dichlorobenzene 2330.08
    ethyl lactate 800.52
    propylene carbonate 2733.31
    n-methylformamide 2280.09
    2-pentanol 3711.06
    n-pentane 915.15
    1-propoxy-2-propanol 2909.14
    1-methoxy-2-propyl acetate 2656.56
    2-(2-methoxypropoxy) propanol 1505.04
    mesitylene 939.65
    ε-caprolactone 5091.73
    p-cymene 813.57
    epichlorohydrin 5555.41
    1,1,1-trichloroethane 5133.65
    2-aminoethanol 1049.88
    morpholine-4-carbaldehyde 3322.0
    sulfolane 4508.94
    2,2,4-trimethylpentane 420.14
    2-methyltetrahydrofuran 6709.42
    n-hexyl acetate 3324.32
    isooctane 324.04
    2-(2-butoxyethoxy)ethanol 2124.48
    sec-butyl acetate 2377.62
    tert-butyl acetate 2959.59
    decalin 613.38
    glycerin 697.55
    diglyme 3574.05
    acrylic acid 1615.4
    isopropyl myristate 1014.77
    n-butyric acid 4786.46
    acetyl acetate 2264.69
    di(2-ethylhexyl) phthalate 796.76
    ethyl propionate 2514.01
    nitromethane 4356.18
    1,2-diethoxyethane 3921.18
    benzonitrile 2789.07
    trioctyl phosphate 600.93
    1-bromopropane 4616.13
    gamma-valerolactone 5128.02
    n-decanol 848.03
    triethyl phosphate 803.65
    4-methyl-2-pentanol 1703.14
    propionitrile 3654.81
    vinylene carbonate 2356.52
    1,1,2-trichlorotrifluoroethane 2809.11
    DMS 1589.71
    cumene 888.19
    2-octanol 1160.69
    2-hexanone 3615.81
    octyl acetate 1290.04
    limonene 1469.08
    1,2-dimethoxyethane 5123.68
    ethyl orthosilicate 841.32
    tributyl phosphate 849.12
    diacetone alcohol 2315.87
    N,N-dimethylaniline 1390.19
    acrylonitrile 3332.88
    aniline 2294.49
    1,3-propanediol 1787.42
    bromobenzene 3544.42
    dibromomethane 5871.29
    1,1,2,2-tetrachloroethane 6663.27
    2-methyl-cyclohexyl acetate 1692.68
    tetrabutyl urea 1028.72
    diisobutyl methanol 1042.7
    2-phenylethanol 1838.2
    styrene 2085.6
    dioctyl adipate 1274.77
    dimethyl sulfate 1113.28
    ethyl butyrate 2625.94
    methyl lactate 835.13
    butyl lactate 1463.75
    diethyl carbonate 1439.43
    propanediol butyl ether 1548.69
    triethyl orthoformate 1425.72
    p-tert-butyltoluene 750.94
    methyl 4-tert-butylbenzoate 1336.84
    morpholine 6280.86
    tert-butylamine 3747.21
    n-dodecanol 612.42
    dimethoxymethane 2767.54
    ethylene carbonate 2264.02
    cyrene 1105.47
    2-ethoxyethyl acetate 2393.24
    2-ethylhexyl acetate 3274.52
    1,2,4-trichlorobenzene 2411.35
    4-methylpyridine 6049.09
    dibutyl ether 2588.14
    2,6-dimethyl-4-heptanol 1042.7
    DEF 4605.55
    dimethyl isosorbide 2212.33
    tetrachloroethylene 4096.27
    eugenol 1280.75
    triacetin 1759.96
    span 80 1505.8
    1,4-butanediol 880.59
    1,1-dichloroethane 6340.64
    2-methyl-1-pentanol 3214.37
    methyl formate 1573.34
    2-methyl-1-butanol 3978.68
    n-decane 296.6
    butyronitrile 4980.97
    3,7-dimethyl-1-octanol 1560.31
    1-chlorooctane 1253.43
    1-chlorotetradecane 392.63
    n-nonane 332.24
    undecane 201.04
    tert-butylcyclohexane 541.6
    cyclooctane 410.12
    cyclopentanol 3588.89
    tetrahydropyran 7841.24
    tert-amyl methyl ether 3817.59
    2,5,8-trioxanonane 2266.56
    1-hexene 4360.2
    2-isopropoxyethanol 2014.13
    2,2,2-trifluoroethanol 590.74
    methyl butyrate 4043.27

    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