4-Ethyloctanal

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  • Identifiers

    CAS number
    58475-04-0

    Molecular formula
    C10H20O

    SMILES
    CCCCC(CC)CCC=O

  • Odor profile

    Fragrance
    Citrus 77.87%
    Fatty 69.59%
    Waxy 67.61%
    Green 64.64%
    Aldehydic 63.0%
    Floral 59.94%
    Fresh 59.58%
    Orange 58.79%
    Fruity 56.66%
    Sweet 50.45%

     

    Flavor
    Waxy 75.93%
    Citrus 69.52%
    Aldehydic 65.74%
    Green 64.94%
    Fresh 61.55%
    Floral 58.24%
    Fatty 53.21%
    Fat 50.41%
    Orange 47.47%
    Rose 46.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.94 (neutral)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 201.00 to 203.00 °C. @ 760.00 mm Hg

    Flash point

    • 78.12 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in many non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • 4-ETHYLOCTANAL
    • 58475-04-0
    • (+/-)-4-Ethyloctanal
    • Octanal, 4-ethyl-
    • 4-Ethyloctanal, (+/-)-
    • UNII-3ED6690G0V
    • FEMA No. 4117
    • 3ED6690G0V
    • (+/-)-4-Ethyloctanal [FIFH]
    • DTXSID40974019
    • (+/-)-4-ETHYLOCTANAL [FHFI]
    • (+/-)-4-Ethyloctanal (FIFH)
    • (+/-)-4-ethyl octanal
    • starbld0045330
    • SCHEMBL2958422
    • OWCKBMRUMZFWED-UHFFFAOYSA-N
    • DTXCID901401458
    • AKOS011897328
    • NS00124224
    • Q27257107
    • 611-661-5

  • Applications

    4-Ethyloctanal (CAS 58475-04-0) is a branched aldehyde commonly used as an aroma chemical and fragrance intermediate in perfumery, and as a precursor for the synthesis of more complex fragrance materials. In flavor applications, it may be evaluated as a potential aroma intermediate, subject to regulatory approval. In cosmetics and personal care, it can function as a fragrance ingredient in formulations, subject to safety and regulatory limits. In household products, detergents and air fresheners, it may contribute to the scent profile. In industrial manufacturing, it is used as an intermediate for the synthesis of specialty chemicals and can act as a precursor for coatings or polymer-related formulations, depending on needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16542.23
    methanol 10928.12
    isopropanol 16509.79
    water 0.1
    ethyl acetate 14029.48
    n-propanol 14571.12
    acetone 22869.77
    n-butanol 12400.07
    acetonitrile 12408.48
    DMF 9838.87
    toluene 3756.54
    isobutanol 10520.02
    1,4-dioxane 11839.06
    methyl acetate 8763.98
    THF 19704.72
    2-butanone 15826.36
    n-pentanol 6864.98
    sec-butanol 11250.83
    n-hexane 3333.84
    ethylene glycol 785.44
    NMP 5176.78
    cyclohexane 4019.96
    DMSO 12410.43
    n-butyl acetate 11876.91
    n-octanol 1818.9
    chloroform 15140.36
    n-propyl acetate 8157.46
    acetic acid 4209.84
    dichloromethane 17826.3
    cyclohexanone 17216.77
    propylene glycol 1868.62
    isopropyl acetate 7556.96
    DMAc 3637.46
    2-ethoxyethanol 5034.23
    isopentanol 9799.37
    n-heptane 1625.6
    ethyl formate 6308.89
    1,2-dichloroethane 13780.29
    n-hexanol 8264.49
    2-methoxyethanol 9691.18
    isobutyl acetate 3702.0
    tetrachloromethane 3369.6
    n-pentyl acetate 4089.29
    transcutol 11370.65
    n-heptanol 2116.51
    ethylbenzene 1793.77
    MIBK 5780.7
    2-propoxyethanol 8138.76
    tert-butanol 15135.67
    MTBE 13224.02
    2-butoxyethanol 3244.42
    propionic acid 5853.52
    o-xylene 1670.45
    formic acid 657.67
    diethyl ether 16354.44
    m-xylene 2276.49
    p-xylene 2117.95
    chlorobenzene 4885.81
    dimethyl carbonate 1092.9
    n-octane 427.01
    formamide 1447.11
    cyclopentanone 14838.49
    2-pentanone 14655.49
    anisole 2859.83
    cyclopentyl methyl ether 10733.51
    gamma-butyrolactone 12495.51
    1-methoxy-2-propanol 7893.82
    pyridine 10242.44
    3-pentanone 7297.71
    furfural 6333.6
    n-dodecane 174.5
    diethylene glycol 2904.73
    diisopropyl ether 3606.58
    tert-amyl alcohol 8800.21
    acetylacetone 7638.88
    n-hexadecane 209.53
    acetophenone 2113.72
    methyl propionate 7374.82
    isopentyl acetate 7741.04
    trichloroethylene 16699.27
    n-nonanol 1405.43
    cyclohexanol 9673.11
    benzyl alcohol 2172.38
    2-ethylhexanol 4387.42
    isooctanol 1651.58
    dipropyl ether 8350.34
    1,2-dichlorobenzene 3279.99
    ethyl lactate 1370.87
    propylene carbonate 5476.23
    n-methylformamide 5861.17
    2-pentanol 8471.56
    n-pentane 2548.42
    1-propoxy-2-propanol 7379.77
    1-methoxy-2-propyl acetate 5598.18
    2-(2-methoxypropoxy) propanol 1600.44
    mesitylene 1273.59
    ε-caprolactone 10411.19
    p-cymene 1130.52
    epichlorohydrin 13850.16
    1,1,1-trichloroethane 12122.93
    2-aminoethanol 2929.52
    morpholine-4-carbaldehyde 5396.64
    sulfolane 9520.64
    2,2,4-trimethylpentane 596.45
    2-methyltetrahydrofuran 19098.6
    n-hexyl acetate 4227.67
    isooctane 572.35
    2-(2-butoxyethoxy)ethanol 2717.45
    sec-butyl acetate 4366.91
    tert-butyl acetate 6309.64
    decalin 858.71
    glycerin 1398.32
    diglyme 5911.32
    acrylic acid 2975.67
    isopropyl myristate 1159.92
    n-butyric acid 11980.47
    acetyl acetate 3558.74
    di(2-ethylhexyl) phthalate 702.74
    ethyl propionate 5657.59
    nitromethane 8006.74
    1,2-diethoxyethane 8071.35
    benzonitrile 4084.41
    trioctyl phosphate 666.44
    1-bromopropane 12496.02
    gamma-valerolactone 13594.51
    n-decanol 937.4
    triethyl phosphate 1055.39
    4-methyl-2-pentanol 3260.16
    propionitrile 11346.64
    vinylene carbonate 4164.87
    1,1,2-trichlorotrifluoroethane 5073.74
    DMS 1756.94
    cumene 958.95
    2-octanol 1594.7
    2-hexanone 8720.56
    octyl acetate 1376.43
    limonene 2508.54
    1,2-dimethoxyethane 10721.76
    ethyl orthosilicate 1162.44
    tributyl phosphate 942.69
    diacetone alcohol 5095.62
    N,N-dimethylaniline 1306.58
    acrylonitrile 9351.46
    aniline 4496.31
    1,3-propanediol 4981.04
    bromobenzene 5339.78
    dibromomethane 14345.55
    1,1,2,2-tetrachloroethane 11357.02
    2-methyl-cyclohexyl acetate 2364.43
    tetrabutyl urea 1070.77
    diisobutyl methanol 2139.11
    2-phenylethanol 2556.91
    styrene 2539.15
    dioctyl adipate 1416.91
    dimethyl sulfate 1408.89
    ethyl butyrate 6262.69
    methyl lactate 1559.35
    butyl lactate 2181.22
    diethyl carbonate 2507.54
    propanediol butyl ether 2113.67
    triethyl orthoformate 2820.55
    p-tert-butyltoluene 1068.91
    methyl 4-tert-butylbenzoate 1361.58
    morpholine 17614.71
    tert-butylamine 10661.12
    n-dodecanol 678.16
    dimethoxymethane 6568.9
    ethylene carbonate 4372.44
    cyrene 1113.42
    2-ethoxyethyl acetate 3969.56
    2-ethylhexyl acetate 5553.39
    1,2,4-trichlorobenzene 3343.49
    4-methylpyridine 10365.98
    dibutyl ether 4942.51
    2,6-dimethyl-4-heptanol 2139.11
    DEF 9562.86
    dimethyl isosorbide 2811.24
    tetrachloroethylene 7855.44
    eugenol 1252.14
    triacetin 1903.18
    span 80 1765.96
    1,4-butanediol 1485.79
    1,1-dichloroethane 17124.12
    2-methyl-1-pentanol 4720.34
    methyl formate 3254.36
    2-methyl-1-butanol 8169.31
    n-decane 393.17
    butyronitrile 13973.63
    3,7-dimethyl-1-octanol 2054.95
    1-chlorooctane 1625.26
    1-chlorotetradecane 447.98
    n-nonane 475.66
    undecane 251.41
    tert-butylcyclohexane 815.23
    cyclooctane 906.63
    cyclopentanol 9947.26
    tetrahydropyran 23068.5
    tert-amyl methyl ether 6422.89
    2,5,8-trioxanonane 2585.79
    1-hexene 9575.88
    2-isopropoxyethanol 3505.89
    2,2,2-trifluoroethanol 815.34
    methyl butyrate 8911.99

    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