1,1-Dimethoxyhexane

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  • Identifiers

    CAS number
    1599-47-9

    Molecular formula
    C8H18O2

    SMILES
    CCCCCC(OC)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 94.05%
    Fruity 63.41%
    Apple 61.6%
    Cognac 53.45%
    Ethereal 53.02%
    Vegetable 52.42%
    Fresh 48.52%
    Sweet 46.9%
    Leafy 43.8%
    Floral 40.96%

     

    Flavor
    Fruity 74.0%
    Green 67.61%
    Sweet 46.69%
    Herbal 35.45%
    Earthy 35.01%
    Wine 33.75%
    Apple 30.72%
    Tropical 30.37%
    Fruit 29.49%
    Mushroom 29.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.95 (neutral)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 38.65 ˚C est.

  • Synonyms

    • 1,1-Dimethoxyhexane
    • Hexanal dimethyl acetal
    • Hexane, 1,1-dimethoxy-
    • 1599-47-9
    • Hexanaldimethylacetal
    • Aldehyde C-6 dimethyl acetal
    • EINECS 216-488-5
    • AI3-36019
    • DTXSID6061812
    • 1,1-dimethoxy-hexane
    • Hexanal, dimethyl acetal
    • caproaldehyde dimethyl acetal
    • 1,1-Dimethoxyhexane, 98%
    • SCHEMBL167839
    • C2N95Z7EA9
    • DTXCID2035148
    • AS-77688
    • NS00021714
    • G77508
    • Q63396572
    • 216-488-5

  • Applications

    1,1-Dimethoxyhexane is a non-polar to moderately polar ether used primarily as a solvent in industrial formulations. Real-world applications include as a solvent for coatings, inks, and adhesives in manufacturing; as a solvent or co-solvent in cleaning formulations and degreasers; as a chemical intermediate in organic synthesis, particularly as a carbonyl-protecting acetal; and as a processing solvent or additive in polymer and plastics manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9335.84
    methanol 9171.26
    isopropanol 7889.75
    water 3.89
    ethyl acetate 6235.98
    n-propanol 7628.65
    acetone 5743.07
    n-butanol 7660.54
    acetonitrile 6394.15
    DMF 3291.85
    toluene 2450.08
    isobutanol 5740.81
    1,4-dioxane 9169.94
    methyl acetate 4369.04
    THF 8772.39
    2-butanone 4669.52
    n-pentanol 4568.55
    sec-butanol 7306.97
    n-hexane 2419.57
    ethylene glycol 1002.13
    NMP 2851.08
    cyclohexane 5337.14
    DMSO 3553.61
    n-butyl acetate 5875.56
    n-octanol 1826.94
    chloroform 17271.58
    n-propyl acetate 3966.3
    acetic acid 7964.72
    dichloromethane 13755.19
    cyclohexanone 7494.22
    propylene glycol 1401.57
    isopropyl acetate 3530.38
    DMAc 2159.04
    2-ethoxyethanol 4443.01
    isopentanol 5900.85
    n-heptane 1807.75
    ethyl formate 4023.8
    1,2-dichloroethane 7337.46
    n-hexanol 5081.38
    2-methoxyethanol 6438.61
    isobutyl acetate 2093.3
    tetrachloromethane 5052.75
    n-pentyl acetate 2847.73
    transcutol 6887.48
    n-heptanol 1941.05
    ethylbenzene 1279.46
    MIBK 2078.56
    2-propoxyethanol 4780.51
    tert-butanol 9279.49
    MTBE 7250.24
    2-butoxyethanol 2691.77
    propionic acid 4757.91
    o-xylene 1323.91
    formic acid 1689.26
    diethyl ether 9339.5
    m-xylene 1318.87
    p-xylene 1803.45
    chlorobenzene 3406.31
    dimethyl carbonate 655.24
    n-octane 483.66
    formamide 1878.96
    cyclopentanone 5030.39
    2-pentanone 4113.96
    anisole 1967.01
    cyclopentyl methyl ether 5341.96
    gamma-butyrolactone 5330.03
    1-methoxy-2-propanol 3844.64
    pyridine 6912.11
    3-pentanone 2706.75
    furfural 4136.96
    n-dodecane 243.17
    diethylene glycol 2543.76
    diisopropyl ether 1984.34
    tert-amyl alcohol 7551.86
    acetylacetone 2645.64
    n-hexadecane 275.9
    acetophenone 1503.25
    methyl propionate 2683.28
    isopentyl acetate 4191.51
    trichloroethylene 11802.26
    n-nonanol 1484.27
    cyclohexanol 7652.01
    benzyl alcohol 1844.35
    2-ethylhexanol 3297.76
    isooctanol 1536.4
    dipropyl ether 4258.88
    1,2-dichlorobenzene 2548.12
    ethyl lactate 1061.62
    propylene carbonate 3470.25
    n-methylformamide 2589.7
    2-pentanol 5165.74
    n-pentane 2525.39
    1-propoxy-2-propanol 4085.55
    1-methoxy-2-propyl acetate 2322.18
    2-(2-methoxypropoxy) propanol 1213.56
    mesitylene 886.67
    ε-caprolactone 6267.49
    p-cymene 1042.87
    epichlorohydrin 6500.31
    1,1,1-trichloroethane 9490.04
    2-aminoethanol 2486.23
    morpholine-4-carbaldehyde 3696.55
    sulfolane 4020.28
    2,2,4-trimethylpentane 767.26
    2-methyltetrahydrofuran 9452.6
    n-hexyl acetate 2899.18
    isooctane 509.92
    2-(2-butoxyethoxy)ethanol 1985.22
    sec-butyl acetate 2511.95
    tert-butyl acetate 2881.63
    decalin 953.23
    glycerin 1451.21
    diglyme 4318.22
    acrylic acid 3080.2
    isopropyl myristate 893.46
    n-butyric acid 8520.91
    acetyl acetate 3041.04
    di(2-ethylhexyl) phthalate 653.38
    ethyl propionate 2720.59
    nitromethane 6536.91
    1,2-diethoxyethane 4190.35
    benzonitrile 3263.42
    trioctyl phosphate 547.54
    1-bromopropane 7056.48
    gamma-valerolactone 5971.73
    n-decanol 934.55
    triethyl phosphate 1014.86
    4-methyl-2-pentanol 2138.18
    propionitrile 5644.28
    vinylene carbonate 3027.26
    1,1,2-trichlorotrifluoroethane 5010.47
    DMS 1147.78
    cumene 825.65
    2-octanol 1424.92
    2-hexanone 3259.46
    octyl acetate 1051.12
    limonene 1915.02
    1,2-dimethoxyethane 6638.04
    ethyl orthosilicate 1226.05
    tributyl phosphate 746.01
    diacetone alcohol 2238.72
    N,N-dimethylaniline 1107.93
    acrylonitrile 4823.23
    aniline 3105.59
    1,3-propanediol 3999.45
    bromobenzene 3689.96
    dibromomethane 10366.56
    1,1,2,2-tetrachloroethane 9972.79
    2-methyl-cyclohexyl acetate 1821.74
    tetrabutyl urea 795.1
    diisobutyl methanol 1623.02
    2-phenylethanol 1895.43
    styrene 1762.42
    dioctyl adipate 1087.52
    dimethyl sulfate 815.15
    ethyl butyrate 3485.65
    methyl lactate 943.82
    butyl lactate 1500.0
    diethyl carbonate 1851.89
    propanediol butyl ether 1674.14
    triethyl orthoformate 2385.38
    p-tert-butyltoluene 985.84
    methyl 4-tert-butylbenzoate 1112.06
    morpholine 10951.85
    tert-butylamine 7367.2
    n-dodecanol 672.06
    dimethoxymethane 2472.25
    ethylene carbonate 3138.01
    cyrene 960.27
    2-ethoxyethyl acetate 2314.94
    2-ethylhexyl acetate 3183.42
    1,2,4-trichlorobenzene 2807.04
    4-methylpyridine 5637.83
    dibutyl ether 3158.54
    2,6-dimethyl-4-heptanol 1623.02
    DEF 4228.26
    dimethyl isosorbide 1764.88
    tetrachloroethylene 8128.7
    eugenol 1085.18
    triacetin 1598.06
    span 80 1482.55
    1,4-butanediol 1607.93
    1,1-dichloroethane 9384.24
    2-methyl-1-pentanol 3621.15
    methyl formate 1912.87
    2-methyl-1-butanol 5579.48
    n-decane 498.27
    butyronitrile 7387.96
    3,7-dimethyl-1-octanol 1747.24
    1-chlorooctane 1456.41
    1-chlorotetradecane 462.54
    n-nonane 571.63
    undecane 323.78
    tert-butylcyclohexane 846.09
    cyclooctane 1101.78
    cyclopentanol 6148.32
    tetrahydropyran 12849.78
    tert-amyl methyl ether 4167.52
    2,5,8-trioxanonane 1983.24
    1-hexene 5243.09
    2-isopropoxyethanol 3132.88
    2,2,2-trifluoroethanol 1807.36
    methyl butyrate 4165.99

    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