7-(1-Ethoxyethoxy)-3,7-dimethyloctanal

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  • Identifiers

    CAS number
    93858-99-2

    Molecular formula
    C14H28O3

    SMILES
    CCOC(C)OC(C)(C)CCCC(C)CC=O

  • Odor profile

    Fragrance
    Floral 80.84%
    Green 71.49%
    Fresh 53.31%
    Lily 52.74%
    Citrus 48.65%
    Muguet 48.23%
    Sweet 44.81%
    Rose 39.66%
    Aldehydic 35.68%
    Fruity 35.2%

     

    Flavor
    Green 76.15%
    Fruity 52.73%
    Floral 44.95%
    Tropical 43.52%
    Waxy 40.35%
    Oily 32.56%
    Herbal 31.54%
    Earthy 31.07%
    Fresh 30.46%
    Citrus 29.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.13 (neutral)

    Molecular weight
    244.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 105.58 ˚C est.

  • Synonyms

    • 7-(1-Ethoxyethoxy)-3,7-dimethyloctanal
    • EINECS 299-335-5
    • 93858-99-2
    • DTXSID10917397
    • WFYJZJGLGJDJFM-UHFFFAOYSA-N
    • DTXCID701346357
    • NS00064115
    • 299-335-5

  • Applications

    7-(1-Ethoxyethoxy)-3,7-dimethyloctanal (CAS 93858-99-2) is primarily used as a fragrance intermediate in the synthesis of odorant molecules and can serve as a building block for perfumery ingredients, contributing specific notes when incorporated into fragrance blends. In cosmetics and personal care, it is commonly evaluated as a fragrance ingredient or precursor for scented formulations such as lotions and cleansers. In household products, it is used as an odorant precursor for air fresheners and cleaning products. In industrial manufacturing, it is treated as an intermediate in fragrance compound production and related chemical syntheses. The substance is used under appropriate regulatory and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3589.26
    methanol 5178.44
    isopropanol 2569.47
    water 5.68
    ethyl acetate 1838.96
    n-propanol 2513.57
    acetone 1690.2
    n-butanol 2158.66
    acetonitrile 1222.47
    DMF 1152.14
    toluene 809.48
    isobutanol 1822.65
    1,4-dioxane 2795.91
    methyl acetate 1249.94
    THF 3430.56
    2-butanone 1322.81
    n-pentanol 1526.28
    sec-butanol 2020.24
    n-hexane 521.81
    ethylene glycol 314.65
    NMP 1332.98
    cyclohexane 930.15
    DMSO 1289.32
    n-butyl acetate 1305.01
    n-octanol 739.51
    chloroform 4191.99
    n-propyl acetate 1116.63
    acetic acid 2077.72
    dichloromethane 3177.77
    cyclohexanone 2587.08
    propylene glycol 616.29
    isopropyl acetate 1244.76
    DMAc 1298.62
    2-ethoxyethanol 1331.84
    isopentanol 1610.67
    n-heptane 300.19
    ethyl formate 1126.46
    1,2-dichloroethane 1606.14
    n-hexanol 1762.29
    2-methoxyethanol 2034.52
    isobutyl acetate 786.74
    tetrachloromethane 670.99
    n-pentyl acetate 848.48
    transcutol 2935.86
    n-heptanol 595.58
    ethylbenzene 489.96
    MIBK 792.47
    2-propoxyethanol 1711.58
    tert-butanol 2538.81
    MTBE 1829.2
    2-butoxyethanol 802.09
    propionic acid 1413.39
    o-xylene 513.6
    formic acid 659.43
    diethyl ether 1829.71
    m-xylene 560.62
    p-xylene 707.52
    chlorobenzene 983.78
    dimethyl carbonate 278.27
    n-octane 110.67
    formamide 532.17
    cyclopentanone 1673.01
    2-pentanone 1165.83
    anisole 637.87
    cyclopentyl methyl ether 1804.9
    gamma-butyrolactone 1823.37
    1-methoxy-2-propanol 1490.83
    pyridine 1569.29
    3-pentanone 881.32
    furfural 1309.08
    n-dodecane 72.19
    diethylene glycol 891.16
    diisopropyl ether 585.23
    tert-amyl alcohol 1969.49
    acetylacetone 1027.89
    n-hexadecane 82.14
    acetophenone 591.19
    methyl propionate 985.2
    isopentyl acetate 1101.99
    trichloroethylene 2567.98
    n-nonanol 599.27
    cyclohexanol 2236.45
    benzyl alcohol 693.26
    2-ethylhexanol 873.03
    isooctanol 464.06
    dipropyl ether 930.88
    1,2-dichlorobenzene 761.87
    ethyl lactate 407.02
    propylene carbonate 1177.83
    n-methylformamide 839.89
    2-pentanol 1372.56
    n-pentane 400.36
    1-propoxy-2-propanol 1235.32
    1-methoxy-2-propyl acetate 981.48
    2-(2-methoxypropoxy) propanol 650.74
    mesitylene 368.71
    ε-caprolactone 2180.08
    p-cymene 294.91
    epichlorohydrin 1873.84
    1,1,1-trichloroethane 1862.28
    2-aminoethanol 891.95
    morpholine-4-carbaldehyde 1528.45
    sulfolane 1524.67
    2,2,4-trimethylpentane 188.83
    2-methyltetrahydrofuran 2850.73
    n-hexyl acetate 1316.11
    isooctane 131.14
    2-(2-butoxyethoxy)ethanol 985.4
    sec-butyl acetate 800.92
    tert-butyl acetate 1079.73
    decalin 286.25
    glycerin 584.52
    diglyme 1579.04
    acrylic acid 783.97
    isopropyl myristate 397.66
    n-butyric acid 2258.63
    acetyl acetate 1018.31
    di(2-ethylhexyl) phthalate 336.64
    ethyl propionate 841.1
    nitromethane 1801.36
    1,2-diethoxyethane 1137.89
    benzonitrile 892.34
    trioctyl phosphate 265.88
    1-bromopropane 1440.25
    gamma-valerolactone 2214.38
    n-decanol 381.01
    triethyl phosphate 345.66
    4-methyl-2-pentanol 707.04
    propionitrile 1176.66
    vinylene carbonate 1062.83
    1,1,2-trichlorotrifluoroethane 1347.32
    DMS 597.87
    cumene 350.37
    2-octanol 495.61
    2-hexanone 1045.85
    octyl acetate 500.75
    limonene 555.4
    1,2-dimethoxyethane 2052.89
    ethyl orthosilicate 370.6
    tributyl phosphate 351.14
    diacetone alcohol 953.75
    N,N-dimethylaniline 444.07
    acrylonitrile 921.46
    aniline 864.3
    1,3-propanediol 1331.33
    bromobenzene 1046.83
    dibromomethane 2439.01
    1,1,2,2-tetrachloroethane 2243.99
    2-methyl-cyclohexyl acetate 662.31
    tetrabutyl urea 415.22
    diisobutyl methanol 392.96
    2-phenylethanol 703.12
    styrene 579.0
    dioctyl adipate 533.49
    dimethyl sulfate 371.34
    ethyl butyrate 878.06
    methyl lactate 434.99
    butyl lactate 596.65
    diethyl carbonate 518.63
    propanediol butyl ether 833.41
    triethyl orthoformate 614.62
    p-tert-butyltoluene 288.15
    methyl 4-tert-butylbenzoate 522.5
    morpholine 3246.05
    tert-butylamine 1712.37
    n-dodecanol 275.36
    dimethoxymethane 1028.44
    ethylene carbonate 1106.57
    cyrene 542.43
    2-ethoxyethyl acetate 836.44
    2-ethylhexyl acetate 885.35
    1,2,4-trichlorobenzene 891.54
    4-methylpyridine 1631.27
    dibutyl ether 897.63
    2,6-dimethyl-4-heptanol 392.96
    DEF 1149.98
    dimethyl isosorbide 989.4
    tetrachloroethylene 1544.68
    eugenol 468.69
    triacetin 864.06
    span 80 702.96
    1,4-butanediol 588.07
    1,1-dichloroethane 2055.56
    2-methyl-1-pentanol 1163.19
    methyl formate 622.12
    2-methyl-1-butanol 1501.44
    n-decane 148.77
    butyronitrile 1523.62
    3,7-dimethyl-1-octanol 605.83
    1-chlorooctane 486.9
    1-chlorotetradecane 170.46
    n-nonane 164.58
    undecane 95.77
    tert-butylcyclohexane 260.38
    cyclooctane 237.59
    cyclopentanol 1954.65
    tetrahydropyran 3700.27
    tert-amyl methyl ether 1195.99
    2,5,8-trioxanonane 1005.17
    1-hexene 1102.66
    2-isopropoxyethanol 928.8
    2,2,2-trifluoroethanol 517.59
    methyl butyrate 1167.29

    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