3-Octenyl propionate, (3Z)-

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  • Identifiers

    CAS number
    94134-03-9

    Molecular formula
    C11H20O2

    SMILES
    CCCC/C=C\CCOC(=O)CC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 88.3%
    Fruity 84.3%
    Waxy 65.82%
    Pear 63.62%
    Tropical 61.33%
    Melon 59.94%
    Apple 56.4%
    Fatty 56.09%
    Fresh 53.31%
    Vegetable 44.63%

     

    Flavor
    Fruity 68.11%
    Green 66.92%
    Waxy 60.03%
    Apple 52.59%
    Pear 50.88%
    Fresh 48.71%
    Tropical 44.05%
    Floral 34.83%
    Melon 34.41%
    Rose 32.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.29 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 96.2 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in most organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • CIS-3-OCTENYL PROPIONATE
    • 94134-03-9
    • [(Z)-oct-3-enyl] propanoate
    • 3-Octen-1-ol, 1-propanoate, (3Z)-
    • 3-Octen-1-ol, propanoate, (3Z)-
    • 3-Octenyl propionate, (3Z)-
    • (Z)-Oct-3-en-1-yl propionate
    • Q07645JX3V
    • EINECS 302-769-0
    • UNII-Q07645JX3V
    • (3Z)-oct-3-en-1-yl propanoate
    • FEMA NO. 4189
    • DTXSID10888735
    • 3(z)-octenyl propionate
    • (3Z)-3-octenyl propionate
    • Propanoate(3Z)-3-Octen-1-ol
    • 3-Octen-1-ol propanoate,(3Z)
    • CHEBI:172042
    • NTQOADMSKSBQCI-FPLPWBNLSA-N
    • DTXCID201028011
    • 1-Propanoate(3Z)-3-Octen-1-ol
    • LMFA07010810
    • AKOS006294200
    • CIS-3-OCTENYL PROPIONATE [FHFI]
    • CIS-3- OCTENYL PROPIONATE [FHFI]
    • NS00092146
    • Q27286843

  • Applications

    3-Octenyl propionate, (3Z)-, CAS 94134-03-9 is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, and as a building block for fragrance compounds in synthesis. In cosmetics and personal care, it may function as a fragrance component and a fragrance carrier in products such as moisturizers and shampoos. In household products such as air fresheners and cleaners, it contributes a characteristic odor. In industry, it is considered a chemical intermediate for fragrance-related compounds and may be used as a processing aid or additive in coatings and inks where scent is involved. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3759.33
    methanol 4112.54
    isopropanol 2890.31
    water 0.15
    ethyl acetate 3964.53
    n-propanol 2802.21
    acetone 5460.33
    n-butanol 2612.14
    acetonitrile 3834.65
    DMF 3423.73
    toluene 1784.03
    isobutanol 2064.2
    1,4-dioxane 3898.22
    methyl acetate 2649.18
    THF 4843.11
    2-butanone 3912.8
    n-pentanol 2159.64
    sec-butanol 2755.89
    n-hexane 1096.48
    ethylene glycol 246.39
    NMP 2621.89
    cyclohexane 1100.04
    DMSO 4935.54
    n-butyl acetate 3127.12
    n-octanol 825.01
    chloroform 6312.74
    n-propyl acetate 2727.22
    acetic acid 2305.34
    dichloromethane 6748.71
    cyclohexanone 4670.12
    propylene glycol 479.02
    isopropyl acetate 2354.0
    DMAc 2543.2
    2-ethoxyethanol 2044.4
    isopentanol 2418.74
    n-heptane 329.47
    ethyl formate 1496.18
    1,2-dichloroethane 4393.06
    n-hexanol 1946.44
    2-methoxyethanol 2697.0
    isobutyl acetate 1487.59
    tetrachloromethane 1068.19
    n-pentyl acetate 1643.5
    transcutol 7115.33
    n-heptanol 683.93
    ethylbenzene 1028.4
    MIBK 1809.81
    2-propoxyethanol 2315.25
    tert-butanol 3482.64
    MTBE 4272.37
    2-butoxyethanol 1146.13
    propionic acid 1680.55
    o-xylene 919.54
    formic acid 401.98
    diethyl ether 5014.94
    m-xylene 1050.7
    p-xylene 1203.94
    chlorobenzene 1977.84
    dimethyl carbonate 588.63
    n-octane 123.25
    formamide 676.83
    cyclopentanone 3816.44
    2-pentanone 3635.64
    anisole 1603.51
    cyclopentyl methyl ether 3164.99
    gamma-butyrolactone 3263.69
    1-methoxy-2-propanol 2211.58
    pyridine 3972.82
    3-pentanone 2336.59
    furfural 2308.27
    n-dodecane 78.18
    diethylene glycol 1112.88
    diisopropyl ether 1179.91
    tert-amyl alcohol 3114.11
    acetylacetone 2704.1
    n-hexadecane 93.46
    acetophenone 1415.78
    methyl propionate 2125.68
    isopentyl acetate 2364.11
    trichloroethylene 6525.83
    n-nonanol 688.34
    cyclohexanol 2567.93
    benzyl alcohol 1199.29
    2-ethylhexanol 1258.22
    isooctanol 612.86
    dipropyl ether 1750.74
    1,2-dichlorobenzene 1607.0
    ethyl lactate 632.27
    propylene carbonate 1734.33
    n-methylformamide 1512.85
    2-pentanol 2122.87
    n-pentane 604.3
    1-propoxy-2-propanol 1873.96
    1-methoxy-2-propyl acetate 1799.01
    2-(2-methoxypropoxy) propanol 1180.18
    mesitylene 647.52
    ε-caprolactone 3333.39
    p-cymene 476.43
    epichlorohydrin 4151.49
    1,1,1-trichloroethane 3994.81
    2-aminoethanol 792.22
    morpholine-4-carbaldehyde 2440.38
    sulfolane 3521.73
    2,2,4-trimethylpentane 271.31
    2-methyltetrahydrofuran 4911.97
    n-hexyl acetate 1996.74
    isooctane 199.27
    2-(2-butoxyethoxy)ethanol 1688.35
    sec-butyl acetate 1744.45
    tert-butyl acetate 2163.93
    decalin 435.6
    glycerin 520.29
    diglyme 2874.08
    acrylic acid 1121.49
    isopropyl myristate 631.64
    n-butyric acid 3035.36
    acetyl acetate 1706.31
    di(2-ethylhexyl) phthalate 523.63
    ethyl propionate 2045.39
    nitromethane 3487.56
    1,2-diethoxyethane 3158.55
    benzonitrile 1801.71
    trioctyl phosphate 371.12
    1-bromopropane 3749.73
    gamma-valerolactone 3688.44
    n-decanol 464.79
    triethyl phosphate 583.71
    4-methyl-2-pentanol 1027.93
    propionitrile 2672.09
    vinylene carbonate 1444.66
    1,1,2-trichlorotrifluoroethane 2391.13
    DMS 1162.31
    cumene 585.36
    2-octanol 606.35
    2-hexanone 2726.34
    octyl acetate 781.33
    limonene 849.1
    1,2-dimethoxyethane 3679.45
    ethyl orthosilicate 612.76
    tributyl phosphate 566.62
    diacetone alcohol 1732.99
    N,N-dimethylaniline 1003.48
    acrylonitrile 2637.89
    aniline 1765.38
    1,3-propanediol 1278.07
    bromobenzene 2394.74
    dibromomethane 5036.62
    1,1,2,2-tetrachloroethane 5431.51
    2-methyl-cyclohexyl acetate 1120.16
    tetrabutyl urea 700.99
    diisobutyl methanol 616.74
    2-phenylethanol 1099.68
    styrene 1479.06
    dioctyl adipate 889.03
    dimethyl sulfate 859.12
    ethyl butyrate 1816.01
    methyl lactate 637.73
    butyl lactate 968.22
    diethyl carbonate 978.13
    propanediol butyl ether 1116.41
    triethyl orthoformate 1008.49
    p-tert-butyltoluene 442.18
    methyl 4-tert-butylbenzoate 924.32
    morpholine 5066.51
    tert-butylamine 2536.67
    n-dodecanol 339.15
    dimethoxymethane 2141.05
    ethylene carbonate 1303.75
    cyrene 877.5
    2-ethoxyethyl acetate 1764.2
    2-ethylhexyl acetate 1844.89
    1,2,4-trichlorobenzene 1719.8
    4-methylpyridine 4088.11
    dibutyl ether 1788.49
    2,6-dimethyl-4-heptanol 616.74
    DEF 3295.57
    dimethyl isosorbide 1687.99
    tetrachloroethylene 3352.89
    eugenol 941.11
    triacetin 1372.56
    span 80 1097.99
    1,4-butanediol 577.66
    1,1-dichloroethane 4754.42
    2-methyl-1-pentanol 2072.2
    methyl formate 942.87
    2-methyl-1-butanol 2286.41
    n-decane 152.3
    butyronitrile 3219.25
    3,7-dimethyl-1-octanol 872.93
    1-chlorooctane 737.0
    1-chlorotetradecane 230.44
    n-nonane 167.47
    undecane 103.7
    tert-butylcyclohexane 380.05
    cyclooctane 276.05
    cyclopentanol 2022.89
    tetrahydropyran 5854.68
    tert-amyl methyl ether 2612.75
    2,5,8-trioxanonane 1850.15
    1-hexene 3039.78
    2-isopropoxyethanol 1615.03
    2,2,2-trifluoroethanol 444.67
    methyl butyrate 2975.36

    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