1-Methoxyheptane

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  • Identifiers

    CAS number
    629-32-3

    Molecular formula
    C8H18O

    SMILES
    CCCCCCCOC

  • Odor profile

    Fragrance
    Green 84.35%
    Sweet 70.87%
    Floral 69.85%
    Fruity 65.72%
    Fresh 62.77%
    Herbal 58.84%
    Citrus 55.11%
    Fatty 53.41%
    Waxy 52.62%
    Rose 47.41%

     

    Flavor
    Fruity 66.77%
    Sweet 64.88%
    Herbal 58.38%
    Green 57.45%
    Floral 48.56%
    Rose 39.88%
    Orange 39.8%
    Waxy 36.9%
    Earthy 36.83%
    Fresh 35.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.75 (neutral)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    149°C

    Flash point

    • 33.54 ˚C est.

  • Synonyms

    • 1-methoxyheptane
    • 629-32-3
    • 1-methoxy-heptane
    • Methyl-heptyl-ather
    • SCHEMBL65783
    • DTXSID90334841
    • AKOS006230259
    • Q3333698

  • Applications

    1-Methoxyheptane (CAS 629-32-3) is used primarily as a non-polar solvent and diluent in industrial formulations, including paints, coatings, inks, and adhesives, where it dissolves hydrocarbon resins and waxy constituents. It is employed in cleaning and degreasing formulations for machinery and process equipment due to its compatibility with hydrocarbon residues and moderate evaporation. In chemical manufacturing, it serves as a reaction solvent and an intermediate for the synthesis of other organic compounds. It can also act as a carrier or co-solvent in cosmetic and fragrance formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27821.89
    methanol 21126.4
    isopropanol 24991.0
    water 0.56
    ethyl acetate 18652.86
    n-propanol 24529.68
    acetone 24512.34
    n-butanol 25934.97
    acetonitrile 15700.51
    DMF 9119.03
    toluene 5079.5
    isobutanol 16507.63
    1,4-dioxane 19944.24
    methyl acetate 11438.19
    THF 26644.86
    2-butanone 16484.72
    n-pentanol 12069.95
    sec-butanol 20214.34
    n-hexane 9207.39
    ethylene glycol 2093.35
    NMP 5367.29
    cyclohexane 12990.49
    DMSO 14920.86
    n-butyl acetate 17644.69
    n-octanol 3699.83
    chloroform 26341.97
    n-propyl acetate 10654.16
    acetic acid 12224.74
    dichloromethane 24136.4
    cyclohexanone 20153.78
    propylene glycol 4027.11
    isopropyl acetate 8878.43
    DMAc 3842.06
    2-ethoxyethanol 9755.52
    isopentanol 17766.49
    n-heptane 6573.14
    ethyl formate 8721.63
    1,2-dichloroethane 17415.85
    n-hexanol 15775.2
    2-methoxyethanol 16183.47
    isobutyl acetate 4503.93
    tetrachloromethane 8304.58
    n-pentyl acetate 5905.45
    transcutol 20328.64
    n-heptanol 4232.24
    ethylbenzene 2578.52
    MIBK 6262.64
    2-propoxyethanol 13743.64
    tert-butanol 25630.04
    MTBE 18524.91
    2-butoxyethanol 5771.01
    propionic acid 10606.99
    o-xylene 2310.26
    formic acid 1807.14
    diethyl ether 26709.68
    m-xylene 2752.02
    p-xylene 2943.22
    chlorobenzene 6093.7
    dimethyl carbonate 1339.39
    n-octane 1332.68
    formamide 2760.22
    cyclopentanone 14927.01
    2-pentanone 15604.51
    anisole 3735.45
    cyclopentyl methyl ether 15171.36
    gamma-butyrolactone 12826.56
    1-methoxy-2-propanol 11888.28
    pyridine 14868.06
    3-pentanone 8813.5
    furfural 7881.57
    n-dodecane 481.8
    diethylene glycol 6008.38
    diisopropyl ether 5875.35
    tert-amyl alcohol 16609.41
    acetylacetone 8408.09
    n-hexadecane 559.67
    acetophenone 2599.28
    methyl propionate 8637.21
    isopentyl acetate 10372.81
    trichloroethylene 22475.14
    n-nonanol 2895.42
    cyclohexanol 19636.66
    benzyl alcohol 3228.02
    2-ethylhexanol 9460.62
    isooctanol 3313.82
    dipropyl ether 16381.48
    1,2-dichlorobenzene 4290.74
    ethyl lactate 2183.35
    propylene carbonate 6641.84
    n-methylformamide 6795.42
    2-pentanol 16667.77
    n-pentane 8218.79
    1-propoxy-2-propanol 12911.96
    1-methoxy-2-propyl acetate 6497.02
    2-(2-methoxypropoxy) propanol 2328.01
    mesitylene 1617.19
    ε-caprolactone 14410.81
    p-cymene 2070.05
    epichlorohydrin 15393.05
    1,1,1-trichloroethane 18702.37
    2-aminoethanol 6276.76
    morpholine-4-carbaldehyde 7242.06
    sulfolane 10032.92
    2,2,4-trimethylpentane 1574.87
    2-methyltetrahydrofuran 26054.81
    n-hexyl acetate 6326.1
    isooctane 1358.82
    2-(2-butoxyethoxy)ethanol 4515.99
    sec-butyl acetate 5461.19
    tert-butyl acetate 7412.74
    decalin 2013.35
    glycerin 3142.03
    diglyme 9826.32
    acrylic acid 5871.44
    isopropyl myristate 1700.94
    n-butyric acid 22563.45
    acetyl acetate 5492.86
    di(2-ethylhexyl) phthalate 950.51
    ethyl propionate 7066.17
    nitromethane 13357.53
    1,2-diethoxyethane 13427.21
    benzonitrile 5436.07
    trioctyl phosphate 911.38
    1-bromopropane 20047.38
    gamma-valerolactone 15096.23
    n-decanol 1896.13
    triethyl phosphate 1772.82
    4-methyl-2-pentanol 5873.23
    propionitrile 14777.16
    vinylene carbonate 5374.92
    1,1,2-trichlorotrifluoroethane 9174.2
    DMS 2291.42
    cumene 1398.1
    2-octanol 3016.57
    2-hexanone 9715.5
    octyl acetate 2082.33
    limonene 4857.32
    1,2-dimethoxyethane 15859.9
    ethyl orthosilicate 2258.01
    tributyl phosphate 1367.51
    diacetone alcohol 6174.85
    N,N-dimethylaniline 1810.79
    acrylonitrile 11841.26
    aniline 6534.14
    1,3-propanediol 10173.95
    bromobenzene 6568.18
    dibromomethane 21549.98
    1,1,2,2-tetrachloroethane 18073.04
    2-methyl-cyclohexyl acetate 3673.31
    tetrabutyl urea 1522.64
    diisobutyl methanol 4562.4
    2-phenylethanol 3814.12
    styrene 3652.17
    dioctyl adipate 1963.34
    dimethyl sulfate 1577.48
    ethyl butyrate 10157.99
    methyl lactate 2322.52
    butyl lactate 3283.33
    diethyl carbonate 4041.97
    propanediol butyl ether 3687.97
    triethyl orthoformate 5359.75
    p-tert-butyltoluene 1983.57
    methyl 4-tert-butylbenzoate 1673.14
    morpholine 27095.32
    tert-butylamine 20522.27
    n-dodecanol 1343.75
    dimethoxymethane 7214.13
    ethylene carbonate 5972.76
    cyrene 1406.8
    2-ethoxyethyl acetate 5125.36
    2-ethylhexyl acetate 7964.83
    1,2,4-trichlorobenzene 4249.64
    4-methylpyridine 11568.02
    dibutyl ether 10307.46
    2,6-dimethyl-4-heptanol 4562.4
    DEF 11307.9
    dimethyl isosorbide 3354.94
    tetrachloroethylene 13917.06
    eugenol 1585.43
    triacetin 2746.37
    span 80 3035.57
    1,4-butanediol 3329.56
    1,1-dichloroethane 21259.3
    2-methyl-1-pentanol 8405.93
    methyl formate 4257.25
    2-methyl-1-butanol 15368.01
    n-decane 1112.64
    butyronitrile 20621.93
    3,7-dimethyl-1-octanol 4183.51
    1-chlorooctane 3186.3
    1-chlorotetradecane 859.43
    n-nonane 1432.61
    undecane 685.95
    tert-butylcyclohexane 1886.93
    cyclooctane 2864.6
    cyclopentanol 16339.2
    tetrahydropyran 36913.36
    tert-amyl methyl ether 10023.41
    2,5,8-trioxanonane 3938.15
    1-hexene 17625.46
    2-isopropoxyethanol 6467.33
    2,2,2-trifluoroethanol 2047.15
    methyl butyrate 10516.93

    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