3-(Dimethoxymethyl)heptane

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  • Identifiers

    CAS number
    14250-95-4

    Molecular formula
    C10H22O2

    SMILES
    CCCCC(CC)C(OC)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 89.32%
    Fruity 43.81%
    Ethereal 43.03%
    Apple 41.71%
    Alcoholic 40.92%
    Cognac 40.05%
    Fermented 39.29%
    Oily 38.69%
    Floral 33.39%
    Vegetable 32.61%

     

    Flavor
    Fruity 67.22%
    Green 66.83%
    Waxy 37.58%
    Floral 36.36%
    Tropical 35.22%
    Oily 30.74%
    Mushroom 29.13%
    Herbal 29.11%
    Earthy 27.27%
    Apple 25.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.87 (neutral)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 57.67 ˚C est.

  • Synonyms

    • 3-(Dimethoxymethyl)heptane
    • 14250-95-4
    • EINECS 238-126-5
    • DTXSID70864479
    • RefChem:92620
    • DTXCID60812989
    • 238-126-5
    • 2-ETHYLHEXANAL DIMETHYL ACETAL
    • MFCD02683068
    • Heptane, 3-(dimethoxymethyl)-
    • SCHEMBL7902477
    • 2-ethyl hexanal dimethyl acetal
    • PNCLVYKEOAAKCK-UHFFFAOYSA-N
    • AKOS025396868
    • NS00053898
    • 14250-95-4

  • Applications

    3-(Dimethoxymethyl)heptane (CAS 14250-95-4) is an aliphatic hydrocarbon bearing a dimethoxymethyl acetal group; in industry it is commonly evaluated as a synthesis intermediate and as a processing solvent/aid, with typical applications including use as an organic-synthesis building block for further transformations, as a co-solvent or carrier in coatings, inks and adhesives, as a component in cleaning formulations or industrial degreasers, and as a processing additive in polymers or plastics to tune solvency and flow properties; it may also serve as a masked carbonyl building block in organic synthesis, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15416.86
    methanol 13808.72
    isopropanol 14495.37
    water 3.47
    ethyl acetate 11359.83
    n-propanol 14454.91
    acetone 12641.34
    n-butanol 13375.01
    acetonitrile 12848.2
    DMF 7414.53
    toluene 4994.25
    isobutanol 12021.81
    1,4-dioxane 15613.34
    methyl acetate 8477.25
    THF 15080.76
    2-butanone 9681.84
    n-pentanol 8496.94
    sec-butanol 13653.81
    n-hexane 3702.7
    ethylene glycol 1423.05
    NMP 5519.49
    cyclohexane 9234.18
    DMSO 6323.07
    n-butyl acetate 12255.94
    n-octanol 3982.92
    chloroform 35267.98
    n-propyl acetate 8144.95
    acetic acid 11918.01
    dichloromethane 28700.15
    cyclohexanone 16040.15
    propylene glycol 2226.08
    isopropyl acetate 7247.69
    DMAc 4212.51
    2-ethoxyethanol 7206.86
    isopentanol 10845.36
    n-heptane 3045.38
    ethyl formate 8086.09
    1,2-dichloroethane 15949.02
    n-hexanol 9653.17
    2-methoxyethanol 10092.07
    isobutyl acetate 4368.36
    tetrachloromethane 9747.58
    n-pentyl acetate 6427.83
    transcutol 10096.85
    n-heptanol 4040.66
    ethylbenzene 2673.48
    MIBK 4653.49
    2-propoxyethanol 8016.81
    tert-butanol 15984.88
    MTBE 14174.62
    2-butoxyethanol 4784.64
    propionic acid 8458.0
    o-xylene 2614.23
    formic acid 2189.95
    diethyl ether 14537.45
    m-xylene 2623.09
    p-xylene 3737.29
    chlorobenzene 7216.04
    dimethyl carbonate 1512.18
    n-octane 1025.79
    formamide 2684.99
    cyclopentanone 10529.12
    2-pentanone 8435.77
    anisole 3850.22
    cyclopentyl methyl ether 9167.66
    gamma-butyrolactone 10869.45
    1-methoxy-2-propanol 6589.35
    pyridine 12917.79
    3-pentanone 5392.07
    furfural 7464.0
    n-dodecane 501.56
    diethylene glycol 3619.63
    diisopropyl ether 4177.52
    tert-amyl alcohol 13294.8
    acetylacetone 5494.01
    n-hexadecane 586.95
    acetophenone 3044.78
    methyl propionate 5435.3
    isopentyl acetate 8718.86
    trichloroethylene 26260.49
    n-nonanol 3088.37
    cyclohexanol 13887.86
    benzyl alcohol 3629.72
    2-ethylhexanol 6058.58
    isooctanol 3287.69
    dipropyl ether 7288.61
    1,2-dichlorobenzene 5653.4
    ethyl lactate 1866.76
    propylene carbonate 6988.24
    n-methylformamide 5576.01
    2-pentanol 9642.42
    n-pentane 3850.69
    1-propoxy-2-propanol 6699.03
    1-methoxy-2-propyl acetate 4231.34
    2-(2-methoxypropoxy) propanol 1937.2
    mesitylene 1817.25
    ε-caprolactone 12246.22
    p-cymene 2172.05
    epichlorohydrin 13660.79
    1,1,1-trichloroethane 19714.42
    2-aminoethanol 3672.37
    morpholine-4-carbaldehyde 6191.59
    sulfolane 8306.35
    2,2,4-trimethylpentane 1468.15
    2-methyltetrahydrofuran 15746.32
    n-hexyl acetate 6482.11
    isooctane 1109.16
    2-(2-butoxyethoxy)ethanol 2981.15
    sec-butyl acetate 4906.67
    tert-butyl acetate 5778.41
    decalin 1793.8
    glycerin 2099.04
    diglyme 7141.48
    acrylic acid 5338.23
    isopropyl myristate 1879.9
    n-butyric acid 14747.84
    acetyl acetate 5550.82
    di(2-ethylhexyl) phthalate 1227.54
    ethyl propionate 5045.75
    nitromethane 12563.79
    1,2-diethoxyethane 6905.85
    benzonitrile 6976.85
    trioctyl phosphate 1178.68
    1-bromopropane 13202.67
    gamma-valerolactone 11858.95
    n-decanol 1861.76
    triethyl phosphate 1697.63
    4-methyl-2-pentanol 4161.14
    propionitrile 11723.73
    vinylene carbonate 6159.74
    1,1,2-trichlorotrifluoroethane 8689.47
    DMS 2257.44
    cumene 1696.54
    2-octanol 3295.94
    2-hexanone 6740.94
    octyl acetate 2268.66
    limonene 3832.98
    1,2-dimethoxyethane 12188.9
    ethyl orthosilicate 1945.38
    tributyl phosphate 1439.56
    diacetone alcohol 4311.41
    N,N-dimethylaniline 2190.22
    acrylonitrile 10384.69
    aniline 5505.59
    1,3-propanediol 6257.3
    bromobenzene 8099.38
    dibromomethane 20504.52
    1,1,2,2-tetrachloroethane 21822.23
    2-methyl-cyclohexyl acetate 3250.14
    tetrabutyl urea 1624.16
    diisobutyl methanol 3074.86
    2-phenylethanol 3342.14
    styrene 3603.88
    dioctyl adipate 2063.59
    dimethyl sulfate 1799.6
    ethyl butyrate 6304.84
    methyl lactate 1747.4
    butyl lactate 3063.0
    diethyl carbonate 3359.74
    propanediol butyl ether 3244.68
    triethyl orthoformate 4031.3
    p-tert-butyltoluene 2007.82
    methyl 4-tert-butylbenzoate 2268.45
    morpholine 18570.67
    tert-butylamine 12301.29
    n-dodecanol 1321.96
    dimethoxymethane 4976.19
    ethylene carbonate 6565.25
    cyrene 1657.27
    2-ethoxyethyl acetate 4797.69
    2-ethylhexyl acetate 6645.08
    1,2,4-trichlorobenzene 5928.71
    4-methylpyridine 11446.89
    dibutyl ether 6152.87
    2,6-dimethyl-4-heptanol 3074.86
    DEF 7941.24
    dimethyl isosorbide 3051.09
    tetrachloroethylene 16727.58
    eugenol 2005.4
    triacetin 2831.34
    span 80 2366.02
    1,4-butanediol 2763.77
    1,1-dichloroethane 20713.19
    2-methyl-1-pentanol 7020.27
    methyl formate 4391.32
    2-methyl-1-butanol 10520.19
    n-decane 1093.44
    butyronitrile 15528.94
    3,7-dimethyl-1-octanol 3449.42
    1-chlorooctane 3388.14
    1-chlorotetradecane 1024.24
    n-nonane 1274.43
    undecane 684.49
    tert-butylcyclohexane 1623.92
    cyclooctane 2132.89
    cyclopentanol 11536.87
    tetrahydropyran 22020.02
    tert-amyl methyl ether 7841.59
    2,5,8-trioxanonane 3008.71
    1-hexene 8097.65
    2-isopropoxyethanol 5100.35
    2,2,2-trifluoroethanol 2847.93
    methyl butyrate 8264.86

    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