Oryctalure

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  • Identifiers

    CAS number
    56196-53-3

    Molecular formula
    C11H22O2

    SMILES
    CCCCC(C)CCC(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.22%
    Waxy 56.17%
    Winey 56.07%
    Floral 55.83%
    Fatty 55.38%
    Oily 54.95%
    Herbal 49.32%
    Sweet 49.15%
    Green 48.75%
    Apple 42.49%

     

    Flavor
    Fruity 73.08%
    Waxy 61.6%
    Green 54.2%
    Sweet 46.75%
    Tropical 45.94%
    Oily 43.81%
    Soapy 40.99%
    Floral 39.28%
    Apple 39.21%
    Pear 38.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.57 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 84.91 ˚C est.

  • Synonyms

    • Ethyl 4-methyloctanoate
    • 56196-53-3
    • Oryctalure
    • DTXSID40971583
    • RefChem:595473
    • DTXCID101399091
    • 260-051-1
    • 54831-51-5
    • ethyl 4-methyl-octanoate
    • MFCD02262189
    • Ethyl 4-metiloctanoate
    • WE(2:0/8:0(4Me))
    • Octanoic acid, 4-methyl-, ethyl ester
    • 4-methyloctanoic acid ethyl ester
    • Ethyl 4-Methyloctanoate; 4-Methyl Ethy Ester Octanoic Acid
    • EINECS 260-051-1
    • Octanoic acid, 4-methyl-, ethyl ester, (.+/-.)-
    • ethyl 4-methyl octanoate
    • Ethyl 4-methyloctanoate #
    • ETHYL4-METHYLOCTANOATE
    • SCHEMBL434247
    • 4-Methyl-octanoic acid ethylester
    • CHEBI:179391
    • LMFA07010521
    • AKOS006276325
    • FE35604
    • HY-W131296
    • AS-57878
    • SY261133
    • CS-0197286
    • NS00056032
    • A11793
    • 56196-53-3

  • Applications

    Oryctalure (CAS 56196-53-3) is principally used as a fragrance ingredient (odorant) in perfumery and cosmetics. It may function as a fixative to help stabilize and extend scent in perfumes and personal care products. It is evaluated for use as a fragrance additive in household products such as detergents, fabric softeners, and air fresheners. It can serve as an intermediate in organic synthesis. In coatings and inks, it may be used as a specialty fragrance additive. In polymers/plastics, it may act as a processing aid or modifier where permitted. It is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10501.88
    methanol 10845.11
    isopropanol 9150.05
    water 0.26
    ethyl acetate 6668.16
    n-propanol 7239.35
    acetone 11275.73
    n-butanol 6316.26
    acetonitrile 6546.16
    DMF 6377.86
    toluene 2114.0
    isobutanol 5571.53
    1,4-dioxane 7074.1
    methyl acetate 4467.08
    THF 8815.66
    2-butanone 6756.5
    n-pentanol 4121.58
    sec-butanol 6468.05
    n-hexane 1209.82
    ethylene glycol 652.99
    NMP 3389.1
    cyclohexane 1288.89
    DMSO 6165.6
    n-butyl acetate 4997.31
    n-octanol 1169.0
    chloroform 8692.98
    n-propyl acetate 3557.57
    acetic acid 3973.87
    dichloromethane 7344.54
    cyclohexanone 7941.84
    propylene glycol 1345.45
    isopropyl acetate 4231.04
    DMAc 3394.87
    2-ethoxyethanol 3435.62
    isopentanol 5456.78
    n-heptane 308.34
    ethyl formate 3128.45
    1,2-dichloroethane 5601.8
    n-hexanol 3975.25
    2-methoxyethanol 5666.25
    isobutyl acetate 2016.95
    tetrachloromethane 1410.83
    n-pentyl acetate 2142.42
    transcutol 8346.82
    n-heptanol 1127.94
    ethylbenzene 1055.59
    MIBK 2957.22
    2-propoxyethanol 4488.54
    tert-butanol 9132.58
    MTBE 8720.18
    2-butoxyethanol 1929.36
    propionic acid 3170.0
    o-xylene 1104.23
    formic acid 811.88
    diethyl ether 7870.78
    m-xylene 1272.42
    p-xylene 1317.89
    chlorobenzene 2645.1
    dimethyl carbonate 686.29
    n-octane 122.25
    formamide 1170.37
    cyclopentanone 6139.54
    2-pentanone 5984.41
    anisole 1882.13
    cyclopentyl methyl ether 4753.79
    gamma-butyrolactone 5146.1
    1-methoxy-2-propanol 4422.51
    pyridine 5740.61
    3-pentanone 3083.62
    furfural 3550.69
    n-dodecane 76.98
    diethylene glycol 2084.66
    diisopropyl ether 1742.55
    tert-amyl alcohol 6300.15
    acetylacetone 4360.06
    n-hexadecane 93.16
    acetophenone 1490.51
    methyl propionate 3249.0
    isopentyl acetate 3906.09
    trichloroethylene 7895.48
    n-nonanol 925.07
    cyclohexanol 4976.12
    benzyl alcohol 1605.17
    2-ethylhexanol 1981.77
    isooctanol 927.88
    dipropyl ether 2423.3
    1,2-dichlorobenzene 1954.51
    ethyl lactate 859.43
    propylene carbonate 2557.45
    n-methylformamide 3011.45
    2-pentanol 4427.93
    n-pentane 724.33
    1-propoxy-2-propanol 3382.06
    1-methoxy-2-propyl acetate 2827.07
    2-(2-methoxypropoxy) propanol 1403.61
    mesitylene 795.06
    ε-caprolactone 5406.69
    p-cymene 537.33
    epichlorohydrin 6397.01
    1,1,1-trichloroethane 5509.97
    2-aminoethanol 2040.65
    morpholine-4-carbaldehyde 3655.66
    sulfolane 4628.27
    2,2,4-trimethylpentane 271.23
    2-methyltetrahydrofuran 7884.68
    n-hexyl acetate 2637.11
    isooctane 228.47
    2-(2-butoxyethoxy)ethanol 2234.3
    sec-butyl acetate 2333.24
    tert-butyl acetate 3645.11
    decalin 434.36
    glycerin 1156.21
    diglyme 3909.05
    acrylic acid 1926.4
    isopropyl myristate 739.25
    n-butyric acid 6271.69
    acetyl acetate 2451.84
    di(2-ethylhexyl) phthalate 611.09
    ethyl propionate 2563.83
    nitromethane 5370.63
    1,2-diethoxyethane 3909.58
    benzonitrile 2559.18
    trioctyl phosphate 456.63
    1-bromopropane 4751.13
    gamma-valerolactone 6736.98
    n-decanol 604.2
    triethyl phosphate 584.93
    4-methyl-2-pentanol 1892.41
    propionitrile 4926.63
    vinylene carbonate 2213.95
    1,1,2-trichlorotrifluoroethane 3313.75
    DMS 1286.78
    cumene 636.93
    2-octanol 905.28
    2-hexanone 3871.36
    octyl acetate 904.68
    limonene 1042.7
    1,2-dimethoxyethane 6273.89
    ethyl orthosilicate 641.18
    tributyl phosphate 636.33
    diacetone alcohol 3061.58
    N,N-dimethylaniline 1036.02
    acrylonitrile 4298.51
    aniline 2690.35
    1,3-propanediol 3174.4
    bromobenzene 2909.82
    dibromomethane 5745.76
    1,1,2,2-tetrachloroethane 6689.2
    2-methyl-cyclohexyl acetate 1324.25
    tetrabutyl urea 748.37
    diisobutyl methanol 908.82
    2-phenylethanol 1677.1
    styrene 1505.42
    dioctyl adipate 988.93
    dimethyl sulfate 931.34
    ethyl butyrate 2284.24
    methyl lactate 1015.79
    butyl lactate 1303.77
    diethyl carbonate 1107.32
    propanediol butyl ether 1697.91
    triethyl orthoformate 1238.71
    p-tert-butyltoluene 531.72
    methyl 4-tert-butylbenzoate 1080.75
    morpholine 10141.26
    tert-butylamine 5453.92
    n-dodecanol 423.99
    dimethoxymethane 3307.76
    ethylene carbonate 2201.4
    cyrene 983.23
    2-ethoxyethyl acetate 2289.67
    2-ethylhexyl acetate 2637.19
    1,2,4-trichlorobenzene 2100.37
    4-methylpyridine 5908.45
    dibutyl ether 2150.19
    2,6-dimethyl-4-heptanol 908.82
    DEF 4895.8
    dimethyl isosorbide 1994.57
    tetrachloroethylene 4262.34
    eugenol 1088.86
    triacetin 1500.24
    span 80 1430.94
    1,4-butanediol 1202.81
    1,1-dichloroethane 7417.8
    2-methyl-1-pentanol 3265.11
    methyl formate 1855.14
    2-methyl-1-butanol 4655.35
    n-decane 160.85
    butyronitrile 6078.19
    3,7-dimethyl-1-octanol 1266.26
    1-chlorooctane 829.13
    1-chlorotetradecane 247.77
    n-nonane 173.83
    undecane 106.86
    tert-butylcyclohexane 400.9
    cyclooctane 285.91
    cyclopentanol 4525.31
    tetrahydropyran 10726.47
    tert-amyl methyl ether 4095.62
    2,5,8-trioxanonane 2190.4
    1-hexene 3996.87
    2-isopropoxyethanol 2498.68
    2,2,2-trifluoroethanol 752.65
    methyl butyrate 4010.26

    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