1,1-Diethoxyoctane

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  • Identifiers

    CAS number
    54889-48-4

    Molecular formula
    C12H26O2

    SMILES
    CCCCCCCC(OCC)OCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 88.19%
    Citrus 73.33%
    Floral 67.72%
    Fruity 65.92%
    Fresh 61.22%
    Herbal 57.91%
    Waxy 56.81%
    Fatty 56.38%
    Oily 52.11%
    Orange 47.88%

     

    Flavor
    Fruity 67.27%
    Green 62.57%
    Waxy 41.08%
    Sweet 36.49%
    Floral 36.28%
    Mushroom 35.24%
    Earthy 35.2%
    Herbal 34.43%
    Tropical 33.95%
    Fatty 33.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.69 (neutral)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 80.89 ˚C est.

  • Synonyms

    • 1,1-Diethoxyoctane
    • 54889-48-4
    • Octanal diethyl acetal
    • Octane, 1,1-diethoxy-
    • n-Octanal diethyl acetal
    • T6T180YN5R
    • EINECS 259-385-0
    • NSC 408319
    • NSC-408319
    • UNII-T6T180YN5R
    • AI3-05099
    • OCTANAL, DIETHYL ACETAL
    • DTXSID2068979
    • 1,1-diethoxy-octane
    • n-OctanalDiethylAcetal
    • MFCD00672807
    • NSC408319
    • Octane,1-diethoxy-
    • SCHEMBL3506995
    • DTXCID5041801
    • n-Octyl Aldehyde Diethyl Acetal
    • AKOS030228002
    • DB-255863
    • CS-0453530
    • NS00022359
    • O0427
    • D91870
    • Q63392184
    • 259-385-0

  • Applications

    1,1-Diethoxyoctane, CAS number: 54889-48-4, is used as an intermediate in organic synthesis, particularly for preparing ether and ester derivatives and other organic building blocks; it can serve as a nonpolar solvent or co-solvent in industrial manufacturing; owing to its long hydrocarbon chain, it may function as a plasticizer or processing aid for certain polymers and plastics; it also appears as a component or additive in coatings, inks, and adhesive formulations to improve solvency and dispersion; depending on local regulations, it may be evaluated for fragrance or cosmetic formulation applications as a solvent or fragrance carrier, subject to applicable limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14430.58
    methanol 10545.38
    isopropanol 15017.99
    water 0.41
    ethyl acetate 19371.57
    n-propanol 14482.99
    acetone 21456.12
    n-butanol 14722.79
    acetonitrile 15225.48
    DMF 9565.7
    toluene 8721.65
    isobutanol 12670.68
    1,4-dioxane 19342.55
    methyl acetate 12172.23
    THF 21995.57
    2-butanone 15947.73
    n-pentanol 10384.94
    sec-butanol 16038.06
    n-hexane 17138.26
    ethylene glycol 857.38
    NMP 9189.59
    cyclohexane 24831.31
    DMSO 13702.33
    n-butyl acetate 21782.19
    n-octanol 6110.54
    chloroform 37734.03
    n-propyl acetate 14779.85
    acetic acid 8986.19
    dichloromethane 35182.25
    cyclohexanone 27663.65
    propylene glycol 1750.7
    isopropyl acetate 12961.33
    DMAc 7189.35
    2-ethoxyethanol 7158.36
    isopentanol 13298.16
    n-heptane 10336.63
    ethyl formate 8520.46
    1,2-dichloroethane 22770.08
    n-hexanol 12687.16
    2-methoxyethanol 9711.26
    isobutyl acetate 8054.6
    tetrachloromethane 10220.1
    n-pentyl acetate 11833.3
    transcutol 16257.93
    n-heptanol 4972.29
    ethylbenzene 5007.24
    MIBK 8665.2
    2-propoxyethanol 9728.38
    tert-butanol 18823.2
    MTBE 22811.78
    2-butoxyethanol 5485.27
    propionic acid 8306.55
    o-xylene 4735.75
    formic acid 1073.5
    diethyl ether 28107.56
    m-xylene 4782.24
    p-xylene 6945.47
    chlorobenzene 10659.75
    dimethyl carbonate 2162.86
    n-octane 2924.29
    formamide 1744.84
    cyclopentanone 16982.26
    2-pentanone 16410.38
    anisole 5929.67
    cyclopentyl methyl ether 18242.05
    gamma-butyrolactone 14103.47
    1-methoxy-2-propanol 7919.33
    pyridine 17387.36
    3-pentanone 11366.26
    furfural 9098.73
    n-dodecane 1278.33
    diethylene glycol 3329.27
    diisopropyl ether 9071.67
    tert-amyl alcohol 16932.62
    acetylacetone 11209.01
    n-hexadecane 1526.14
    acetophenone 5273.47
    methyl propionate 9375.0
    isopentyl acetate 15219.47
    trichloroethylene 29919.39
    n-nonanol 4951.55
    cyclohexanol 19767.75
    benzyl alcohol 4213.85
    2-ethylhexanol 10050.85
    isooctanol 4387.01
    dipropyl ether 19377.92
    1,2-dichlorobenzene 8447.58
    ethyl lactate 2745.97
    propylene carbonate 8742.82
    n-methylformamide 5226.34
    2-pentanol 13481.95
    n-pentane 10979.07
    1-propoxy-2-propanol 10078.04
    1-methoxy-2-propyl acetate 8050.39
    2-(2-methoxypropoxy) propanol 3242.82
    mesitylene 3386.91
    ε-caprolactone 18873.79
    p-cymene 3847.75
    epichlorohydrin 16564.21
    1,1,1-trichloroethane 26523.01
    2-aminoethanol 2623.71
    morpholine-4-carbaldehyde 8450.65
    sulfolane 13950.59
    2,2,4-trimethylpentane 3098.91
    2-methyltetrahydrofuran 26236.43
    n-hexyl acetate 12697.02
    isooctane 2223.44
    2-(2-butoxyethoxy)ethanol 4938.92
    sec-butyl acetate 9394.97
    tert-butyl acetate 11443.95
    decalin 4898.83
    glycerin 1545.75
    diglyme 10447.85
    acrylic acid 4622.15
    isopropyl myristate 3976.31
    n-butyric acid 16554.37
    acetyl acetate 8590.88
    di(2-ethylhexyl) phthalate 2109.4
    ethyl propionate 10625.16
    nitromethane 11960.36
    1,2-diethoxyethane 15170.77
    benzonitrile 8605.82
    trioctyl phosphate 2016.14
    1-bromopropane 25749.43
    gamma-valerolactone 15481.34
    n-decanol 3209.16
    triethyl phosphate 3182.95
    4-methyl-2-pentanol 5969.36
    propionitrile 13883.03
    vinylene carbonate 7394.44
    1,1,2-trichlorotrifluoroethane 9695.0
    DMS 4679.07
    cumene 3171.1
    2-octanol 4825.75
    2-hexanone 13718.47
    octyl acetate 4491.34
    limonene 8211.59
    1,2-dimethoxyethane 17221.19
    ethyl orthosilicate 3735.73
    tributyl phosphate 2865.76
    diacetone alcohol 6884.59
    N,N-dimethylaniline 3875.85
    acrylonitrile 10502.89
    aniline 7688.56
    1,3-propanediol 4978.1
    bromobenzene 13091.28
    dibromomethane 30769.87
    1,1,2,2-tetrachloroethane 27448.14
    2-methyl-cyclohexyl acetate 6280.6
    tetrabutyl urea 3564.48
    diisobutyl methanol 5364.32
    2-phenylethanol 4301.55
    styrene 6649.19
    dioctyl adipate 4445.18
    dimethyl sulfate 2844.1
    ethyl butyrate 13038.5
    methyl lactate 2419.68
    butyl lactate 5056.69
    diethyl carbonate 6206.6
    propanediol butyl ether 4074.68
    triethyl orthoformate 7844.06
    p-tert-butyltoluene 3518.17
    methyl 4-tert-butylbenzoate 3604.71
    morpholine 23730.28
    tert-butylamine 16352.85
    n-dodecanol 2429.09
    dimethoxymethane 7602.46
    ethylene carbonate 8434.35
    cyrene 2245.89
    2-ethoxyethyl acetate 8175.41
    2-ethylhexyl acetate 12745.44
    1,2,4-trichlorobenzene 8507.89
    4-methylpyridine 17522.55
    dibutyl ether 17064.26
    2,6-dimethyl-4-heptanol 5364.32
    DEF 14364.27
    dimethyl isosorbide 5126.33
    tetrachloroethylene 18881.84
    eugenol 2836.83
    triacetin 5845.97
    span 80 4040.6
    1,4-butanediol 2168.78
    1,1-dichloroethane 27985.12
    2-methyl-1-pentanol 8950.84
    methyl formate 3650.52
    2-methyl-1-butanol 13167.51
    n-decane 2810.52
    butyronitrile 18407.42
    3,7-dimethyl-1-octanol 6135.16
    1-chlorooctane 7229.76
    1-chlorotetradecane 2241.32
    n-nonane 3446.91
    undecane 1767.48
    tert-butylcyclohexane 4055.23
    cyclooctane 5980.38
    cyclopentanol 14379.58
    tetrahydropyran 37642.27
    tert-amyl methyl ether 13989.24
    2,5,8-trioxanonane 5158.87
    1-hexene 25329.97
    2-isopropoxyethanol 5800.09
    2,2,2-trifluoroethanol 2009.71
    methyl butyrate 15493.36

    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