Octane, 1,1-dimethoxy-3,7-dimethyl-

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  • Identifiers

    CAS number
    68141-23-1

    Molecular formula
    C12H26O2

    SMILES
    CC(C)CCCC(C)CC(OC)OC

  • Odor profile

    Fragrance
    Green 70.79%
    Floral 62.71%
    Citrus 51.57%
    Rose 48.11%
    Fresh 47.39%
    Herbal 38.6%
    Lily 36.89%
    Muguet 36.63%
    Lemon 34.61%
    Waxy 34.27%

     

    Flavor
    Green 54.83%
    Waxy 38.67%
    Floral 31.02%
    Oily 30.22%
    Fresh 29.92%
    Tropical 25.94%
    Mild 25.14%
    Fruity 24.74%
    Citrus 24.27%
    Leathery 23.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.23 (weak base)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 76.51 ˚C est.

  • Synonyms

    • 1,1-Dimethoxy-3,7-dimethyloctane
    • Octane, 1,1-dimethoxy-3,7-dimethyl-
    • 68141-23-1
    • EINECS 268-846-5
    • 3,7-Dimethyloctanal, dimethyl acetal
    • DTXSID30887220
    • 1,1-dimethoxy-3,7-dimethyloctan
    • 3,7-Dimethyloctanal dimethyl acetal
    • SCHEMBL15823067
    • DTXCID70876370
    • DTXSID20276068
    • YKJOVWRPIHPSDM-UHFFFAOYSA-N
    • NS00059968
    • 137250-78-3
    • 268-846-5

  • Applications

    Octane, 1,1-dimethoxy-3,7-dimethyl- (CAS 68141-23-1) is primarily used as a solvent and processing aid in industrial manufacturing; as an intermediate in organic synthesis; may serve as a solvent or component in coatings and inks; may act as a plasticizer or additive in polymer formulations; and may appear in cleaning formulations as a solvent component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4666.03
    methanol 3010.23
    isopropanol 4901.31
    water 0.57
    ethyl acetate 3695.95
    n-propanol 4074.19
    acetone 2957.06
    n-butanol 4255.33
    acetonitrile 2133.91
    DMF 1462.26
    toluene 1255.78
    isobutanol 3432.79
    1,4-dioxane 5078.91
    methyl acetate 2141.86
    THF 5554.53
    2-butanone 2481.65
    n-pentanol 2676.24
    sec-butanol 4328.89
    n-hexane 1587.94
    ethylene glycol 312.04
    NMP 1249.43
    cyclohexane 3055.54
    DMSO 1774.62
    n-butyl acetate 3677.31
    n-octanol 1367.09
    chloroform 8068.79
    n-propyl acetate 2335.16
    acetic acid 2754.86
    dichloromethane 5458.84
    cyclohexanone 4214.86
    propylene glycol 812.66
    isopropyl acetate 2442.62
    DMAc 1066.36
    2-ethoxyethanol 2389.95
    isopentanol 3609.9
    n-heptane 1318.4
    ethyl formate 1859.36
    1,2-dichloroethane 3112.53
    n-hexanol 3880.8
    2-methoxyethanol 3186.04
    isobutyl acetate 1479.17
    tetrachloromethane 2136.18
    n-pentyl acetate 1915.93
    transcutol 4820.79
    n-heptanol 1483.83
    ethylbenzene 820.66
    MIBK 1499.75
    2-propoxyethanol 3126.8
    tert-butanol 6131.95
    MTBE 4723.94
    2-butoxyethanol 1888.84
    propionic acid 2099.38
    o-xylene 868.4
    formic acid 383.43
    diethyl ether 4340.29
    m-xylene 942.74
    p-xylene 1147.31
    chlorobenzene 1615.62
    dimethyl carbonate 339.01
    n-octane 387.12
    formamide 416.14
    cyclopentanone 2738.63
    2-pentanone 2393.4
    anisole 1122.66
    cyclopentyl methyl ether 3232.7
    gamma-butyrolactone 2619.31
    1-methoxy-2-propanol 2624.18
    pyridine 2613.11
    3-pentanone 1558.35
    furfural 2084.41
    n-dodecane 179.65
    diethylene glycol 1329.05
    diisopropyl ether 1503.61
    tert-amyl alcohol 4782.64
    acetylacetone 1833.48
    n-hexadecane 210.76
    acetophenone 931.51
    methyl propionate 1521.21
    isopentyl acetate 3023.41
    trichloroethylene 5147.75
    n-nonanol 1134.35
    cyclohexanol 4527.78
    benzyl alcohol 1036.69
    2-ethylhexanol 2458.38
    isooctanol 1223.24
    dipropyl ether 3164.03
    1,2-dichlorobenzene 1382.35
    ethyl lactate 764.48
    propylene carbonate 2004.3
    n-methylformamide 860.67
    2-pentanol 3371.03
    n-pentane 1350.27
    1-propoxy-2-propanol 2993.39
    1-methoxy-2-propyl acetate 1937.12
    2-(2-methoxypropoxy) propanol 956.63
    mesitylene 697.08
    ε-caprolactone 3687.77
    p-cymene 767.63
    epichlorohydrin 3508.39
    1,1,1-trichloroethane 4674.05
    2-aminoethanol 989.47
    morpholine-4-carbaldehyde 1888.4
    sulfolane 2303.97
    2,2,4-trimethylpentane 536.5
    2-methyltetrahydrofuran 5067.74
    n-hexyl acetate 2181.97
    isooctane 430.7
    2-(2-butoxyethoxy)ethanol 1574.06
    sec-butyl acetate 1783.9
    tert-butyl acetate 2321.02
    decalin 665.77
    glycerin 730.86
    diglyme 2987.69
    acrylic acid 1153.23
    isopropyl myristate 738.35
    n-butyric acid 4586.06
    acetyl acetate 1766.99
    di(2-ethylhexyl) phthalate 509.17
    ethyl propionate 1666.5
    nitromethane 2260.37
    1,2-diethoxyethane 2631.2
    benzonitrile 1565.06
    trioctyl phosphate 459.26
    1-bromopropane 3327.63
    gamma-valerolactone 3617.95
    n-decanol 759.19
    triethyl phosphate 657.91
    4-methyl-2-pentanol 1668.97
    propionitrile 2465.92
    vinylene carbonate 1560.55
    1,1,2-trichlorotrifluoroethane 2453.59
    DMS 821.66
    cumene 589.53
    2-octanol 1180.34
    2-hexanone 2103.05
    octyl acetate 887.05
    limonene 1498.21
    1,2-dimethoxyethane 3921.78
    ethyl orthosilicate 777.65
    tributyl phosphate 577.58
    diacetone alcohol 1921.48
    N,N-dimethylaniline 683.34
    acrylonitrile 1720.96
    aniline 1478.2
    1,3-propanediol 2004.28
    bromobenzene 1766.05
    dibromomethane 4533.69
    1,1,2,2-tetrachloroethane 4949.03
    2-methyl-cyclohexyl acetate 1363.73
    tetrabutyl urea 626.79
    diisobutyl methanol 1351.42
    2-phenylethanol 1153.24
    styrene 929.12
    dioctyl adipate 841.18
    dimethyl sulfate 442.13
    ethyl butyrate 2364.12
    methyl lactate 612.17
    butyl lactate 1159.63
    diethyl carbonate 1193.03
    propanediol butyl ether 1357.88
    triethyl orthoformate 1630.8
    p-tert-butyltoluene 760.33
    methyl 4-tert-butylbenzoate 879.59
    morpholine 5755.33
    tert-butylamine 4749.44
    n-dodecanol 545.09
    dimethoxymethane 1248.67
    ethylene carbonate 1704.64
    cyrene 724.69
    2-ethoxyethyl acetate 1655.42
    2-ethylhexyl acetate 2281.49
    1,2,4-trichlorobenzene 1607.54
    4-methylpyridine 2536.33
    dibutyl ether 2354.26
    2,6-dimethyl-4-heptanol 1351.42
    DEF 1949.82
    dimethyl isosorbide 1510.32
    tetrachloroethylene 3320.01
    eugenol 760.27
    triacetin 1318.12
    span 80 1183.52
    1,4-butanediol 808.0
    1,1-dichloroethane 4646.34
    2-methyl-1-pentanol 2140.04
    methyl formate 641.23
    2-methyl-1-butanol 3206.44
    n-decane 401.36
    butyronitrile 3580.93
    3,7-dimethyl-1-octanol 1370.38
    1-chlorooctane 1134.89
    1-chlorotetradecane 363.62
    n-nonane 471.71
    undecane 249.76
    tert-butylcyclohexane 619.9
    cyclooctane 827.69
    cyclopentanol 3474.38
    tetrahydropyran 7231.09
    tert-amyl methyl ether 2754.72
    2,5,8-trioxanonane 1511.35
    1-hexene 3080.0
    2-isopropoxyethanol 1888.58
    2,2,2-trifluoroethanol 614.91
    methyl butyrate 2388.87

    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