(+/-)-6-Methoxy-2,6-dimethylheptanal

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  • Identifiers

    CAS number
    62439-41-2

    Molecular formula
    C10H20O2

    SMILES
    CC(CCCC(C)(C)OC)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 75.03%
    Green 72.25%
    Fruity 66.15%
    Fresh 61.05%
    Citrus 60.61%
    Sweet 55.33%
    Aldehydic 44.78%
    Rose 39.71%
    Melon 38.96%
    Herbal 38.85%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.89 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    212°C

    Flash point est.
    82.23 ˚C

  • Synonyms

    • 6-methoxy-2,6-dimethylheptanal
    • Methoxymelonal
    • 62439-41-2
    • 6-Methoxy-2,6-dimethylheptan-1-al
    • Methoxy dimethyl heptanal
    • Heptanal, 6-methoxy-2,6-dimethyl-
    • K4F39MF7SF
    • EINECS 263-545-5
    • UNII-K4F39MF7SF
    • (+/-)-6-Methoxy-2,6-dimethylheptanal
    • DTXSID3052303
    • FEMA NO. 4745
    • SCHEMBL225537
    • DTXCID0030875
    • AKOS006280054
    • NS00012825

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1911.58
    methanol 2056.8
    isopropanol 1364.74
    water 6.08
    ethyl acetate 1090.03
    n-propanol 1396.25
    acetone 782.48
    n-butanol 1325.61
    acetonitrile 851.03
    DMF 670.5
    toluene 496.09
    isobutanol 919.05
    1,4-dioxane 1907.51
    methyl acetate 846.48
    THF 1668.02
    2-butanone 811.68
    n-pentanol 813.06
    sec-butanol 1181.05
    n-hexane 300.4
    ethylene glycol 278.28
    NMP 646.8
    cyclohexane 443.13
    DMSO 663.75
    n-butyl acetate 775.06
    n-octanol 330.69
    chloroform 3081.94
    n-propyl acetate 602.05
    acetic acid 1241.74
    dichloromethane 2009.03
    cyclohexanone 1137.03
    propylene glycol 474.01
    isopropyl acetate 628.67
    DMAc 689.94
    2-ethoxyethanol 1013.04
    isopentanol 1022.76
    n-heptane 159.27
    ethyl formate 642.66
    1,2-dichloroethane 1019.1
    n-hexanol 1056.19
    2-methoxyethanol 1414.81
    isobutyl acetate 408.39
    tetrachloromethane 740.48
    n-pentyl acetate 377.37
    transcutol 2269.06
    n-heptanol 356.24
    ethylbenzene 294.58
    MIBK 426.43
    2-propoxyethanol 1107.8
    tert-butanol 1616.24
    MTBE 1202.17
    2-butoxyethanol 560.43
    propionic acid 910.15
    o-xylene 335.56
    formic acid 474.18
    diethyl ether 1173.82
    m-xylene 329.53
    p-xylene 406.99
    chlorobenzene 648.51
    dimethyl carbonate 163.83
    n-octane 48.27
    formamide 453.05
    cyclopentanone 817.47
    2-pentanone 649.26
    anisole 538.4
    cyclopentyl methyl ether 876.65
    gamma-butyrolactone 950.07
    1-methoxy-2-propanol 947.09
    pyridine 1078.89
    3-pentanone 490.06
    furfural 1006.97
    n-dodecane 29.92
    diethylene glycol 701.98
    diisopropyl ether 325.14
    tert-amyl alcohol 1338.03
    acetylacetone 558.02
    n-hexadecane 34.01
    acetophenone 440.12
    methyl propionate 590.16
    isopentyl acetate 697.73
    trichloroethylene 2094.67
    n-nonanol 285.04
    cyclohexanol 1105.96
    benzyl alcohol 474.0
    2-ethylhexanol 562.59
    isooctanol 277.26
    dipropyl ether 510.6
    1,2-dichlorobenzene 593.93
    ethyl lactate 283.88
    propylene carbonate 672.64
    n-methylformamide 562.22
    2-pentanol 822.0
    n-pentane 239.34
    1-propoxy-2-propanol 803.46
    1-methoxy-2-propyl acetate 656.07
    2-(2-methoxypropoxy) propanol 502.01
    mesitylene 231.08
    ε-caprolactone 1136.95
    p-cymene 208.76
    epichlorohydrin 1205.09
    1,1,1-trichloroethane 1571.84
    2-aminoethanol 700.53
    morpholine-4-carbaldehyde 1065.68
    sulfolane 835.16
    2,2,4-trimethylpentane 123.15
    2-methyltetrahydrofuran 1499.92
    n-hexyl acetate 555.75
    isooctane 81.96
    2-(2-butoxyethoxy)ethanol 684.41
    sec-butyl acetate 461.0
    tert-butyl acetate 633.27
    decalin 156.85
    glycerin 528.42
    diglyme 1169.36
    acrylic acid 657.49
    isopropyl myristate 198.32
    n-butyric acid 1318.31
    acetyl acetate 605.11
    di(2-ethylhexyl) phthalate 203.46
    ethyl propionate 482.06
    nitromethane 1070.6
    1,2-diethoxyethane 780.39
    benzonitrile 601.62
    trioctyl phosphate 140.53
    1-bromopropane 849.93
    gamma-valerolactone 1312.98
    n-decanol 195.96
    triethyl phosphate 238.03
    4-methyl-2-pentanol 434.56
    propionitrile 831.59
    vinylene carbonate 644.45
    1,1,2-trichlorotrifluoroethane 1062.9
    DMS 349.7
    cumene 219.19
    2-octanol 238.19
    2-hexanone 546.77
    octyl acetate 234.28
    limonene 338.32
    1,2-dimethoxyethane 1287.41
    ethyl orthosilicate 267.57
    tributyl phosphate 202.61
    diacetone alcohol 609.66
    N,N-dimethylaniline 337.24
    acrylonitrile 746.99
    aniline 694.97
    1,3-propanediol 928.07
    bromobenzene 672.84
    dibromomethane 1450.59
    1,1,2,2-tetrachloroethane 1851.22
    2-methyl-cyclohexyl acetate 433.54
    tetrabutyl urea 204.88
    diisobutyl methanol 290.08
    2-phenylethanol 501.03
    styrene 365.05
    dioctyl adipate 295.87
    dimethyl sulfate 237.17
    ethyl butyrate 533.92
    methyl lactate 299.08
    butyl lactate 333.43
    diethyl carbonate 359.86
    propanediol butyl ether 496.56
    triethyl orthoformate 414.72
    p-tert-butyltoluene 215.94
    methyl 4-tert-butylbenzoate 359.38
    morpholine 2255.48
    tert-butylamine 1217.02
    n-dodecanol 146.85
    dimethoxymethane 489.15
    ethylene carbonate 604.94
    cyrene 384.9
    2-ethoxyethyl acetate 474.65
    2-ethylhexyl acetate 565.84
    1,2,4-trichlorobenzene 734.54
    4-methylpyridine 1011.58
    dibutyl ether 433.76
    2,6-dimethyl-4-heptanol 290.08
    DEF 700.91
    dimethyl isosorbide 662.15
    tetrachloroethylene 1384.04
    eugenol 344.84
    triacetin 488.31
    span 80 464.38
    1,4-butanediol 368.31
    1,1-dichloroethane 1439.44
    2-methyl-1-pentanol 689.37
    methyl formate 361.6
    2-methyl-1-butanol 938.41
    n-decane 63.04
    butyronitrile 944.75
    3,7-dimethyl-1-octanol 369.18
    1-chlorooctane 221.55
    1-chlorotetradecane 80.57
    n-nonane 64.68
    undecane 40.54
    tert-butylcyclohexane 151.21
    cyclooctane 119.03
    cyclopentanol 868.85
    tetrahydropyran 1912.97
    tert-amyl methyl ether 827.62
    2,5,8-trioxanonane 714.39
    1-hexene 693.32
    2-isopropoxyethanol 679.43
    2,2,2-trifluoroethanol 384.45
    methyl butyrate 660.91

    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