Isononane, 1,1-diethoxy-

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  • Identifiers

    CAS number
    67923-83-5

    Molecular formula
    C13H28O2

    SMILES
    CCOC(CCCCCC(C)C)OCC

  • Odor profile

    Green 86.97%
    Floral 65.38%
    Citrus 52.49%
    Fruity 51.63%
    Fresh 50.34%
    Sweet 43.33%
    Rose 40.4%
    Oily 40.35%
    Herbal 39.06%
    Waxy 37.43%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    216.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point est.
    86.38 ˚C

  • Synonyms

    • Isononane, 1,1-diethoxy-
    • Isononal diethyl acetal
    • 67923-83-5
    • 1,1-Diethoxyisononane
    • Isononanal diethylacetal
    • EINECS 267-787-2
    • DTXSID6070857
    • Isogrisal 7 C
    • isononanal diethyl acetal
    • 1,1-diethoxy-7-methyloctane
    • PM5338KHC7
    • DTXCID2045286
    • UAARUIRTLPTVEA-UHFFFAOYSA-N
    • NS00036295

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10244.04
    methanol 6351.45
    isopropanol 10828.69
    water 0.33
    ethyl acetate 11002.87
    n-propanol 9830.05
    acetone 11362.43
    n-butanol 10262.59
    acetonitrile 6811.8
    DMF 4448.81
    toluene 4521.65
    isobutanol 8893.06
    1,4-dioxane 11982.28
    methyl acetate 6601.69
    THF 14814.57
    2-butanone 8824.52
    n-pentanol 7522.12
    sec-butanol 11021.93
    n-hexane 11044.28
    ethylene glycol 480.53
    NMP 4287.17
    cyclohexane 14743.63
    DMSO 6174.84
    n-butyl acetate 13138.38
    n-octanol 4297.35
    chloroform 20490.04
    n-propyl acetate 8602.59
    acetic acid 4757.49
    dichloromethane 17194.93
    cyclohexanone 15327.59
    propylene glycol 1187.39
    isopropyl acetate 8447.85
    DMAc 3854.9
    2-ethoxyethanol 4985.0
    isopentanol 9748.75
    n-heptane 7097.39
    ethyl formate 4839.48
    1,2-dichloroethane 10568.08
    n-hexanol 9688.03
    2-methoxyethanol 6133.83
    isobutyl acetate 5168.04
    tetrachloromethane 5528.49
    n-pentyl acetate 7362.1
    transcutol 11560.19
    n-heptanol 3777.64
    ethylbenzene 2858.32
    MIBK 5475.7
    2-propoxyethanol 7121.48
    tert-butanol 13476.2
    MTBE 15494.9
    2-butoxyethanol 4082.32
    propionic acid 4542.13
    o-xylene 2784.67
    formic acid 586.75
    diethyl ether 16078.58
    m-xylene 2823.68
    p-xylene 4094.13
    chlorobenzene 5234.04
    dimethyl carbonate 1063.12
    n-octane 2003.28
    formamide 779.77
    cyclopentanone 8814.21
    2-pentanone 9099.78
    anisole 3292.22
    cyclopentyl methyl ether 10999.83
    gamma-butyrolactone 7449.48
    1-methoxy-2-propanol 5487.58
    pyridine 7901.63
    3-pentanone 6091.25
    furfural 4711.88
    n-dodecane 890.12
    diethylene glycol 2255.53
    diisopropyl ether 6089.11
    tert-amyl alcohol 12023.95
    acetylacetone 6340.47
    n-hexadecane 1044.69
    acetophenone 2875.2
    methyl propionate 4913.83
    isopentyl acetate 10212.93
    trichloroethylene 14299.64
    n-nonanol 3537.68
    cyclohexanol 12350.24
    benzyl alcohol 2554.0
    2-ethylhexanol 7392.56
    isooctanol 3238.5
    dipropyl ether 12720.44
    1,2-dichlorobenzene 4387.31
    ethyl lactate 1776.76
    propylene carbonate 4924.78
    n-methylformamide 2338.08
    2-pentanol 9103.67
    n-pentane 6912.83
    1-propoxy-2-propanol 7297.93
    1-methoxy-2-propyl acetate 5471.95
    2-(2-methoxypropoxy) propanol 2304.9
    mesitylene 2138.04
    ε-caprolactone 11113.51
    p-cymene 2367.23
    epichlorohydrin 9186.72
    1,1,1-trichloroethane 14098.14
    2-aminoethanol 1651.07
    morpholine-4-carbaldehyde 4813.37
    sulfolane 7105.7
    2,2,4-trimethylpentane 2104.24
    2-methyltetrahydrofuran 16073.78
    n-hexyl acetate 8330.81
    isooctane 1624.84
    2-(2-butoxyethoxy)ethanol 3582.12
    sec-butyl acetate 6185.97
    tert-butyl acetate 7839.19
    decalin 3148.72
    glycerin 1015.88
    diglyme 7223.75
    acrylic acid 2292.42
    isopropyl myristate 2714.44
    n-butyric acid 10065.56
    acetyl acetate 5014.32
    di(2-ethylhexyl) phthalate 1406.71
    ethyl propionate 5943.84
    nitromethane 5541.62
    1,2-diethoxyethane 9728.55
    benzonitrile 4434.54
    trioctyl phosphate 1400.4
    1-bromopropane 13551.52
    gamma-valerolactone 9101.05
    n-decanol 2341.29
    triethyl phosphate 1962.25
    4-methyl-2-pentanol 4466.69
    propionitrile 6963.4
    vinylene carbonate 3835.36
    1,1,2-trichlorotrifluoroethane 5399.21
    DMS 2711.66
    cumene 1943.04
    2-octanol 3494.88
    2-hexanone 8351.14
    octyl acetate 3049.01
    limonene 5221.18
    1,2-dimethoxyethane 10818.7
    ethyl orthosilicate 2405.09
    tributyl phosphate 1944.36
    diacetone alcohol 4852.74
    N,N-dimethylaniline 2197.47
    acrylonitrile 4781.7
    aniline 4005.92
    1,3-propanediol 3387.96
    bromobenzene 6210.13
    dibromomethane 15392.1
    1,1,2,2-tetrachloroethane 13615.52
    2-methyl-cyclohexyl acetate 4204.08
    tetrabutyl urea 2290.26
    diisobutyl methanol 3823.3
    2-phenylethanol 2832.34
    styrene 3480.51
    dioctyl adipate 2904.04
    dimethyl sulfate 1365.84
    ethyl butyrate 7778.21
    methyl lactate 1384.88
    butyl lactate 3358.91
    diethyl carbonate 3692.79
    propanediol butyl ether 2965.75
    triethyl orthoformate 5102.68
    p-tert-butyltoluene 2238.37
    methyl 4-tert-butylbenzoate 2325.58
    morpholine 14169.14
    tert-butylamine 11957.29
    n-dodecanol 1762.87
    dimethoxymethane 4038.1
    ethylene carbonate 4540.65
    cyrene 1563.78
    2-ethoxyethyl acetate 5163.06
    2-ethylhexyl acetate 8324.07
    1,2,4-trichlorobenzene 4488.57
    4-methylpyridine 8702.38
    dibutyl ether 11073.97
    2,6-dimethyl-4-heptanol 3823.3
    DEF 7228.05
    dimethyl isosorbide 3600.02
    tetrachloroethylene 9280.35
    eugenol 1793.8
    triacetin 3889.36
    span 80 2964.44
    1,4-butanediol 1481.13
    1,1-dichloroethane 14867.93
    2-methyl-1-pentanol 6446.52
    methyl formate 1661.43
    2-methyl-1-butanol 8987.49
    n-decane 1950.13
    butyronitrile 10234.55
    3,7-dimethyl-1-octanol 4450.42
    1-chlorooctane 4665.0
    1-chlorotetradecane 1516.1
    n-nonane 2405.11
    undecane 1217.85
    tert-butylcyclohexane 2840.52
    cyclooctane 3788.58
    cyclopentanol 8723.26
    tetrahydropyran 22468.05
    tert-amyl methyl ether 9348.7
    2,5,8-trioxanonane 3633.09
    1-hexene 15343.4
    2-isopropoxyethanol 4236.15
    2,2,2-trifluoroethanol 1086.35
    methyl butyrate 8604.99

    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