1-Octen-3-yl butyrate

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  • Identifiers

    CAS number
    16491-54-6

    Molecular formula
    C12H22O2

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

  • Odor profile

    Fruity 81.51%
    Green 67.13%
    Mushroom 47.92%
    Waxy 47.15%
    Earthy 44.42%
    Herbal 44.41%
    Tropical 44.08%
    Oily 42.45%
    Pineapple 39.05%
    Metallic 37.58%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 225.00 to 227.00 °C. @ 760.00 mm Hg

    Flash point est.
    93.57 ˚C

    Solubility expt.

    • Insoluble in water; soluble in oils; slightly soluble in propylene glycol
    • Soluble (in ethanol)

  • Synonyms

    • 1-Octen-3-yl butyrate
    • 16491-54-6
    • oct-1-en-3-yl butanoate
    • 1-Ethenylhexyl butanoate
    • 1-Pentylallyl butyrate
    • 1-Vinylhexyl butyrate
    • 1-Octen-3-ol butyrate
    • Butanoic acid, 1-ethenylhexyl ester
    • Disperse Yellow 184:1
    • Butyric acid, 1-pentylallyl ester
    • Oct-1-en-3-yl butyrate
    • 164578-37-4
    • FEMA No. 3612
    • Amylvinylcarbinyl butyrate
    • BUTYRIC ACID, 1-VINYLHEXYL ESTER
    • 1-Pentyl-2-propenyl butyrate
    • H8J989X4KJ
    • C.I. Disperse Yellow 184:1
    • EINECS 240-555-8
    • 1-OCTEN-3-YL-BUTYRATE
    • BRN 1935498
    • UNII-H8J989X4KJ
    • AI3-33187
    • Butanoic acid 1-octen-3-yl ester
    • SCHEMBL1171644
    • FEMA 3612
    • DTXSID80864682
    • CHEBI:169568
    • LMFA07010710
    • 1-OCTEN-3-YL BUTYRATE [FCC]
    • 1-OCTEN-3-YL BUTYRATE [FHFI]
    • (+/-)-1-OCTEN-3-YL BUTYRATE
    • 1-OCTEN-3-YL BUTYRATE, (+/-)-
    • NS00052227
    • Q27279767
    • 1-Octen-3-yl butyrate, >=97%, stabilized, FCC, FG

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11850.62
    methanol 11667.01
    isopropanol 10827.68
    water 0.31
    ethyl acetate 10236.91
    n-propanol 9691.99
    acetone 16159.69
    n-butanol 9579.51
    acetonitrile 8675.52
    DMF 11303.79
    toluene 4078.23
    isobutanol 8374.81
    1,4-dioxane 9078.63
    methyl acetate 6297.12
    THF 14021.78
    2-butanone 10400.28
    n-pentanol 6559.69
    sec-butanol 10482.51
    n-hexane 3610.45
    ethylene glycol 638.11
    NMP 7409.43
    cyclohexane 4326.58
    DMSO 8950.34
    n-butyl acetate 9156.86
    n-octanol 2629.11
    chloroform 14097.52
    n-propyl acetate 6038.14
    acetic acid 6245.48
    dichloromethane 13466.64
    cyclohexanone 14818.6
    propylene glycol 1359.21
    isopropyl acetate 6493.08
    DMAc 6552.15
    2-ethoxyethanol 4158.39
    isopentanol 8441.5
    n-heptane 1144.27
    ethyl formate 4772.6
    1,2-dichloroethane 10270.92
    n-hexanol 7232.33
    2-methoxyethanol 6477.52
    isobutyl acetate 3320.2
    tetrachloromethane 2284.14
    n-pentyl acetate 4443.49
    transcutol 11151.62
    n-heptanol 2263.63
    ethylbenzene 2474.49
    MIBK 5013.36
    2-propoxyethanol 6323.39
    tert-butanol 10283.44
    MTBE 11279.91
    2-butoxyethanol 2817.57
    propionic acid 4740.45
    o-xylene 2144.51
    formic acid 1045.7
    diethyl ether 11926.75
    m-xylene 2344.43
    p-xylene 3117.84
    chlorobenzene 5484.76
    dimethyl carbonate 1459.01
    n-octane 447.17
    formamide 1622.73
    cyclopentanone 10582.11
    2-pentanone 10189.41
    anisole 3429.03
    cyclopentyl methyl ether 7939.66
    gamma-butyrolactone 9033.34
    1-methoxy-2-propanol 5276.65
    pyridine 10018.86
    3-pentanone 5857.15
    furfural 5902.33
    n-dodecane 265.51
    diethylene glycol 2503.24
    diisopropyl ether 3376.96
    tert-amyl alcohol 9456.98
    acetylacetone 6912.23
    n-hexadecane 318.24
    acetophenone 3007.38
    methyl propionate 5374.9
    isopentyl acetate 7377.95
    trichloroethylene 15208.97
    n-nonanol 2133.87
    cyclohexanol 9102.64
    benzyl alcohol 2715.64
    2-ethylhexanol 4009.01
    isooctanol 1864.07
    dipropyl ether 4913.07
    1,2-dichlorobenzene 3981.83
    ethyl lactate 1337.22
    propylene carbonate 5035.41
    n-methylformamide 4615.67
    2-pentanol 8083.37
    n-pentane 2304.72
    1-propoxy-2-propanol 4970.1
    1-methoxy-2-propyl acetate 4377.36
    2-(2-methoxypropoxy) propanol 2196.4
    mesitylene 1476.92
    ε-caprolactone 9787.34
    p-cymene 1229.26
    epichlorohydrin 10171.97
    1,1,1-trichloroethane 9561.01
    2-aminoethanol 2127.98
    morpholine-4-carbaldehyde 5693.12
    sulfolane 8185.33
    2,2,4-trimethylpentane 719.8
    2-methyltetrahydrofuran 13054.66
    n-hexyl acetate 5734.09
    isooctane 608.15
    2-(2-butoxyethoxy)ethanol 3327.0
    sec-butyl acetate 3898.37
    tert-butyl acetate 5129.32
    decalin 1158.24
    glycerin 1227.95
    diglyme 5653.5
    acrylic acid 3086.21
    isopropyl myristate 1691.1
    n-butyric acid 10045.98
    acetyl acetate 4053.15
    di(2-ethylhexyl) phthalate 1152.35
    ethyl propionate 4378.43
    nitromethane 8529.68
    1,2-diethoxyethane 6358.22
    benzonitrile 4628.6
    trioctyl phosphate 939.61
    1-bromopropane 9145.3
    gamma-valerolactone 9659.94
    n-decanol 1426.26
    triethyl phosphate 1192.96
    4-methyl-2-pentanol 3280.53
    propionitrile 7176.92
    vinylene carbonate 4192.25
    1,1,2-trichlorotrifluoroethane 5160.0
    DMS 2470.66
    cumene 1385.6
    2-octanol 2007.52
    2-hexanone 6700.76
    octyl acetate 2131.95
    limonene 2514.97
    1,2-dimethoxyethane 8833.31
    ethyl orthosilicate 1269.73
    tributyl phosphate 1336.53
    diacetone alcohol 4128.72
    N,N-dimethylaniline 2133.75
    acrylonitrile 6203.23
    aniline 4178.38
    1,3-propanediol 3654.95
    bromobenzene 6276.39
    dibromomethane 10550.87
    1,1,2,2-tetrachloroethane 12384.99
    2-methyl-cyclohexyl acetate 2598.69
    tetrabutyl urea 1672.68
    diisobutyl methanol 1786.4
    2-phenylethanol 2858.21
    styrene 3429.42
    dioctyl adipate 2016.69
    dimethyl sulfate 1869.8
    ethyl butyrate 4361.22
    methyl lactate 1524.96
    butyl lactate 2438.94
    diethyl carbonate 2246.49
    propanediol butyl ether 2498.07
    triethyl orthoformate 2264.24
    p-tert-butyltoluene 1144.78
    methyl 4-tert-butylbenzoate 2017.28
    morpholine 12480.3
    tert-butylamine 7595.39
    n-dodecanol 1021.14
    dimethoxymethane 5533.46
    ethylene carbonate 4292.48
    cyrene 1523.59
    2-ethoxyethyl acetate 3823.05
    2-ethylhexyl acetate 5452.13
    1,2,4-trichlorobenzene 4083.39
    4-methylpyridine 11014.22
    dibutyl ether 4780.72
    2,6-dimethyl-4-heptanol 1786.4
    DEF 8839.36
    dimethyl isosorbide 3255.7
    tetrachloroethylene 7807.65
    eugenol 1838.74
    triacetin 2722.91
    span 80 2369.02
    1,4-butanediol 1530.49
    1,1-dichloroethane 11937.9
    2-methyl-1-pentanol 5811.25
    methyl formate 3054.78
    2-methyl-1-butanol 8143.6
    n-decane 540.13
    butyronitrile 10587.42
    3,7-dimethyl-1-octanol 2556.93
    1-chlorooctane 2251.32
    1-chlorotetradecane 686.92
    n-nonane 610.37
    undecane 357.47
    tert-butylcyclohexane 998.11
    cyclooctane 989.02
    cyclopentanol 7463.24
    tetrahydropyran 16949.07
    tert-amyl methyl ether 6817.1
    2,5,8-trioxanonane 3339.44
    1-hexene 8910.66
    2-isopropoxyethanol 3214.26
    2,2,2-trifluoroethanol 1134.33
    methyl butyrate 7320.89

    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