Heptanal dimethyl acetal

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  • Identifiers

    CAS number
    10032-05-0

    Molecular formula
    C9H20O2

    SMILES
    CCCCCCC(OC)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 93.63%
    Fruity 59.35%
    Floral 57.36%
    Waxy 56.99%
    Fresh 56.92%
    Citrus 54.0%
    Apple 53.75%
    Vegetable 49.61%
    Fatty 49.43%
    Leafy 47.43%

     

    Flavor
    Fruity 70.1%
    Green 68.39%
    Sweet 40.54%
    Floral 38.58%
    Herbal 37.98%
    Waxy 37.26%
    Mushroom 34.95%
    Earthy 34.68%
    Tropical 31.45%
    Wine 31.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.03 (weak base)

    Molecular weight
    160.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 81.00 °C. @ 30.00 mm Hg

    Flash point

    • 54.75 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 1,1-Dimethoxyheptane
    • 10032-05-0
    • Heptanal dimethyl acetal
    • Heptane, 1,1-dimethoxy-
    • Enanthal dimethyl acetal
    • Oenanthal dimethyl acetal
    • Heptanal, dimethyl acetal
    • Heptaldehyde dimethyl acetal
    • Aldehyde C-7 dimethyl acetal
    • FEMA No. 2541
    • RMC47KWZ4J
    • EINECS 233-103-6
    • AI3-36020
    • 1,1-dimethoxy-heptane
    • n-Heptanal dimethyl acetal
    • DTXSID0064919
    • HEPTANAL DIMETHYL ACETAL [FHFI]
    • UNII-RMC47KWZ4J
    • Heptanal dimethylacetal
    • 1,1-Dimethoxyheptane, 98%
    • SCHEMBL531229
    • DTXCID1032519
    • FEMA 2541
    • CHEBI:178229
    • AKOS015902213
    • AS-79916
    • DB-326443
    • CS-0439587
    • NS00012515
    • G77412
    • Q27288188
    • 233-103-6

  • Applications

    Heptanal dimethyl acetal (CAS 10032-05-0) is primarily used as an aldehyde-protecting acetal in multi-step organic synthesis, providing a stable masked aldehyde that can be unmasked under acidic conditions to regenerate the corresponding aldehyde; it is also employed as a building block in fragrance and flavor chemistry, enabling controlled introduction of aldehyde functionality during formulation; in industrial settings it can serve as a solvent or co-solvent in coatings, inks, adhesives, and cleaning formulations; it offers a convenient intermediate for the production of polymers and plastics, and it is commonly evaluated as a synthetic intermediate in pharmaceutical and agrochemical routes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11461.67
    methanol 10427.89
    isopropanol 10375.27
    water 0.92
    ethyl acetate 11295.36
    n-propanol 10574.22
    acetone 12090.19
    n-butanol 10802.37
    acetonitrile 10940.35
    DMF 6056.7
    toluene 4011.68
    isobutanol 8102.98
    1,4-dioxane 11509.9
    methyl acetate 7318.18
    THF 12929.49
    2-butanone 8917.32
    n-pentanol 6264.99
    sec-butanol 9691.57
    n-hexane 4689.92
    ethylene glycol 957.1
    NMP 4768.18
    cyclohexane 7302.56
    DMSO 8427.81
    n-butyl acetate 10581.65
    n-octanol 2387.18
    chloroform 22795.59
    n-propyl acetate 7512.05
    acetic acid 8349.14
    dichloromethane 20460.97
    cyclohexanone 12626.66
    propylene glycol 1569.01
    isopropyl acetate 6580.55
    DMAc 3390.09
    2-ethoxyethanol 5756.15
    isopentanol 8767.53
    n-heptane 2543.37
    ethyl formate 5877.87
    1,2-dichloroethane 12927.82
    n-hexanol 6878.96
    2-methoxyethanol 8032.75
    isobutyl acetate 3556.55
    tetrachloromethane 6951.1
    n-pentyl acetate 5132.48
    transcutol 11811.66
    n-heptanol 2393.31
    ethylbenzene 2237.18
    MIBK 4240.78
    2-propoxyethanol 6570.44
    tert-butanol 13381.85
    MTBE 12231.4
    2-butoxyethanol 3478.66
    propionic acid 6289.34
    o-xylene 2135.82
    formic acid 1512.35
    diethyl ether 15785.08
    m-xylene 2279.76
    p-xylene 2854.22
    chlorobenzene 5439.5
    dimethyl carbonate 1184.95
    n-octane 726.97
    formamide 2259.75
    cyclopentanone 9485.6
    2-pentanone 8680.44
    anisole 3167.52
    cyclopentyl methyl ether 9167.74
    gamma-butyrolactone 8773.14
    1-methoxy-2-propanol 5838.07
    pyridine 9807.02
    3-pentanone 5596.05
    furfural 6271.43
    n-dodecane 312.08
    diethylene glycol 3048.87
    diisopropyl ether 3808.71
    tert-amyl alcohol 10784.0
    acetylacetone 5339.63
    n-hexadecane 370.24
    acetophenone 2476.98
    methyl propionate 5234.31
    isopentyl acetate 7275.73
    trichloroethylene 19753.02
    n-nonanol 1890.46
    cyclohexanol 10302.85
    benzyl alcohol 2562.32
    2-ethylhexanol 4633.68
    isooctanol 2070.02
    dipropyl ether 7156.33
    1,2-dichlorobenzene 4465.25
    ethyl lactate 1632.08
    propylene carbonate 5241.16
    n-methylformamide 4182.84
    2-pentanol 8223.1
    n-pentane 3817.63
    1-propoxy-2-propanol 6129.31
    1-methoxy-2-propyl acetate 4358.54
    2-(2-methoxypropoxy) propanol 1747.22
    mesitylene 1546.72
    ε-caprolactone 9983.36
    p-cymene 1615.66
    epichlorohydrin 10564.56
    1,1,1-trichloroethane 15690.38
    2-aminoethanol 2752.34
    morpholine-4-carbaldehyde 5300.02
    sulfolane 7989.53
    2,2,4-trimethylpentane 1190.39
    2-methyltetrahydrofuran 14289.93
    n-hexyl acetate 4977.79
    isooctane 853.06
    2-(2-butoxyethoxy)ethanol 2899.24
    sec-butyl acetate 4540.33
    tert-butyl acetate 5816.82
    decalin 1522.6
    glycerin 1594.45
    diglyme 6250.11
    acrylic acid 3969.01
    isopropyl myristate 1397.0
    n-butyric acid 11492.85
    acetyl acetate 4699.58
    di(2-ethylhexyl) phthalate 939.73
    ethyl propionate 5152.68
    nitromethane 9889.6
    1,2-diethoxyethane 7852.46
    benzonitrile 4921.75
    trioctyl phosphate 801.76
    1-bromopropane 12007.01
    gamma-valerolactone 9806.95
    n-decanol 1195.29
    triethyl phosphate 1559.56
    4-methyl-2-pentanol 3315.71
    propionitrile 9470.13
    vinylene carbonate 4621.53
    1,1,2-trichlorotrifluoroethane 7505.52
    DMS 2059.41
    cumene 1350.98
    2-octanol 2002.39
    2-hexanone 6451.92
    octyl acetate 1589.08
    limonene 3178.71
    1,2-dimethoxyethane 9513.08
    ethyl orthosilicate 1902.79
    tributyl phosphate 1181.29
    diacetone alcohol 4237.67
    N,N-dimethylaniline 1784.72
    acrylonitrile 7963.74
    aniline 4765.29
    1,3-propanediol 4467.97
    bromobenzene 6328.97
    dibromomethane 16168.75
    1,1,2,2-tetrachloroethane 16737.36
    2-methyl-cyclohexyl acetate 2870.85
    tetrabutyl urea 1326.92
    diisobutyl methanol 2447.64
    2-phenylethanol 2671.08
    styrene 3145.72
    dioctyl adipate 1671.59
    dimethyl sulfate 1598.66
    ethyl butyrate 5968.9
    methyl lactate 1522.27
    butyl lactate 2632.0
    diethyl carbonate 3025.48
    propanediol butyl ether 2458.37
    triethyl orthoformate 3782.96
    p-tert-butyltoluene 1565.79
    methyl 4-tert-butylbenzoate 1678.8
    morpholine 14528.77
    tert-butylamine 10997.18
    n-dodecanol 847.2
    dimethoxymethane 4428.66
    ethylene carbonate 4789.03
    cyrene 1342.28
    2-ethoxyethyl acetate 4236.51
    2-ethylhexyl acetate 5605.25
    1,2,4-trichlorobenzene 4620.61
    4-methylpyridine 9070.9
    dibutyl ether 5874.65
    2,6-dimethyl-4-heptanol 2447.64
    DEF 7838.9
    dimethyl isosorbide 2768.52
    tetrachloroethylene 12833.68
    eugenol 1554.9
    triacetin 2548.8
    span 80 2084.5
    1,4-butanediol 1777.8
    1,1-dichloroethane 15524.58
    2-methyl-1-pentanol 5349.68
    methyl formate 2934.93
    2-methyl-1-butanol 8390.55
    n-decane 692.94
    butyronitrile 12094.59
    3,7-dimethyl-1-octanol 2585.71
    1-chlorooctane 2306.13
    1-chlorotetradecane 658.94
    n-nonane 834.58
    undecane 434.53
    tert-butylcyclohexane 1367.58
    cyclooctane 1697.64
    cyclopentanol 8383.57
    tetrahydropyran 18765.74
    tert-amyl methyl ether 7298.1
    2,5,8-trioxanonane 2773.33
    1-hexene 9357.64
    2-isopropoxyethanol 4162.33
    2,2,2-trifluoroethanol 2051.37
    methyl butyrate 7851.75

    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