7-Methoxy-3,7-Dimethyloctanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3613-30-7

    Molecular formula
    C11H22O2

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

  • Odor profile

    Floral 84.33%
    Green 69.04%
    Fresh 66.49%
    Citrus 66.24%
    Sweet 65.42%
    Rose 53.79%
    Lily 52.76%
    Aldehydic 51.39%
    Muguet 43.2%
    Lemon 42.82%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.74 (neutral)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point est.
    85.3 ˚C

  • Synonyms

    • 7-Methoxy-3,7-dimethyloctanal
    • 3613-30-7
    • Methoxycitronellal
    • Octanal, 7-methoxy-3,7-dimethyl-
    • 7-Methoxycitronellal
    • Methoxydihydrocitronellal
    • Hydroxycitronellal methyl ether
    • 3,7-Dimethyl-7-methoxy-1-octanal
    • BRN 1904467
    • EINECS 222-784-5
    • UNII-261VCL42SZ
    • 1-OCTANAL, 3,7-DIMETHYL-7-METHOXY-
    • 261VCL42SZ
    • DTXSID7038818
    • AI3-36183
    • DTXCID5018818
    • J8.182E
    • 7-METHOXY-6,7-DIHYDROCITRONELLAL
    • 7-METHOXY-3,7-DIMETHYL-1-OCTANAL
    • MFCD00007015
    • SCHEMBL113867
    • CHEMBL3189093
    • 3,7-dimethyl-7-methoxy-octanal
    • 134678-53-8
    • 7-methoxy-3,7-dimethyloctan-1-al
    • Tox21_301955
    • AKOS025243239
    • SB85357
    • NCGC00255437-01
    • AS-76743
    • CAS-3613-30-7
    • DB-048921
    • Octanal, 7-methoxy-3,7-dimethyl-, (S)-
    • NS00012821
    • F81528
    • Q27254032
    • 222-784-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2792.59
    methanol 2807.25
    isopropanol 1993.46
    water 5.77
    ethyl acetate 1283.68
    n-propanol 1693.15
    acetone 955.41
    n-butanol 1604.88
    acetonitrile 900.24
    DMF 654.06
    toluene 441.11
    isobutanol 1093.61
    1,4-dioxane 2494.98
    methyl acetate 894.78
    THF 2276.77
    2-butanone 823.54
    n-pentanol 920.3
    sec-butanol 1234.98
    n-hexane 211.62
    ethylene glycol 333.47
    NMP 548.13
    cyclohexane 437.79
    DMSO 636.78
    n-butyl acetate 849.12
    n-octanol 372.89
    chloroform 2745.71
    n-propyl acetate 625.25
    acetic acid 1328.87
    dichloromethane 1741.38
    cyclohexanone 1243.02
    propylene glycol 638.09
    isopropyl acetate 721.29
    DMAc 610.53
    2-ethoxyethanol 1162.55
    isopentanol 1116.53
    n-heptane 164.79
    ethyl formate 705.9
    1,2-dichloroethane 941.23
    n-hexanol 1231.4
    2-methoxyethanol 1876.23
    isobutyl acetate 440.62
    tetrachloromethane 512.23
    n-pentyl acetate 407.85
    transcutol 2721.39
    n-heptanol 396.36
    ethylbenzene 243.28
    MIBK 442.14
    2-propoxyethanol 1507.5
    tert-butanol 2109.76
    MTBE 1239.73
    2-butoxyethanol 635.36
    propionic acid 985.52
    o-xylene 289.65
    formic acid 464.04
    diethyl ether 1269.29
    m-xylene 305.15
    p-xylene 345.02
    chlorobenzene 570.48
    dimethyl carbonate 155.28
    n-octane 51.78
    formamide 420.84
    cyclopentanone 869.44
    2-pentanone 655.22
    anisole 478.92
    cyclopentyl methyl ether 999.5
    gamma-butyrolactone 997.21
    1-methoxy-2-propanol 1250.53
    pyridine 1069.87
    3-pentanone 468.38
    furfural 929.81
    n-dodecane 37.32
    diethylene glycol 907.39
    diisopropyl ether 347.5
    tert-amyl alcohol 1262.27
    acetylacetone 630.83
    n-hexadecane 42.45
    acetophenone 379.57
    methyl propionate 598.86
    isopentyl acetate 728.7
    trichloroethylene 1736.51
    n-nonanol 320.27
    cyclohexanol 1318.35
    benzyl alcohol 446.0
    2-ethylhexanol 594.88
    isooctanol 297.83
    dipropyl ether 625.19
    1,2-dichlorobenzene 490.15
    ethyl lactate 288.91
    propylene carbonate 688.93
    n-methylformamide 531.73
    2-pentanol 907.82
    n-pentane 208.12
    1-propoxy-2-propanol 1060.35
    1-methoxy-2-propyl acetate 795.0
    2-(2-methoxypropoxy) propanol 529.77
    mesitylene 210.33
    ε-caprolactone 1244.46
    p-cymene 189.18
    epichlorohydrin 1272.69
    1,1,1-trichloroethane 1328.38
    2-aminoethanol 896.84
    morpholine-4-carbaldehyde 1165.6
    sulfolane 764.1
    2,2,4-trimethylpentane 99.46
    2-methyltetrahydrofuran 1751.32
    n-hexyl acetate 626.22
    isooctane 78.82
    2-(2-butoxyethoxy)ethanol 808.66
    sec-butyl acetate 471.72
    tert-butyl acetate 716.24
    decalin 135.75
    glycerin 629.78
    diglyme 1364.94
    acrylic acid 595.53
    isopropyl myristate 214.15
    n-butyric acid 1561.87
    acetyl acetate 656.17
    di(2-ethylhexyl) phthalate 204.18
    ethyl propionate 490.94
    nitromethane 1094.2
    1,2-diethoxyethane 917.29
    benzonitrile 586.55
    trioctyl phosphate 145.06
    1-bromopropane 752.68
    gamma-valerolactone 1527.03
    n-decanol 222.84
    triethyl phosphate 232.86
    4-methyl-2-pentanol 487.95
    propionitrile 805.6
    vinylene carbonate 654.62
    1,1,2-trichlorotrifluoroethane 1012.04
    DMS 369.22
    cumene 179.68
    2-octanol 261.12
    2-hexanone 538.79
    octyl acetate 258.74
    limonene 327.8
    1,2-dimethoxyethane 1440.39
    ethyl orthosilicate 258.4
    tributyl phosphate 202.04
    diacetone alcohol 698.69
    N,N-dimethylaniline 289.66
    acrylonitrile 681.92
    aniline 661.41
    1,3-propanediol 1256.1
    bromobenzene 576.15
    dibromomethane 1200.77
    1,1,2,2-tetrachloroethane 1575.2
    2-methyl-cyclohexyl acetate 435.58
    tetrabutyl urea 210.84
    diisobutyl methanol 295.18
    2-phenylethanol 532.9
    styrene 294.33
    dioctyl adipate 298.34
    dimethyl sulfate 200.93
    ethyl butyrate 598.69
    methyl lactate 311.77
    butyl lactate 354.68
    diethyl carbonate 378.71
    propanediol butyl ether 579.86
    triethyl orthoformate 453.21
    p-tert-butyltoluene 202.28
    methyl 4-tert-butylbenzoate 344.33
    morpholine 2862.16
    tert-butylamine 1409.55
    n-dodecanol 168.29
    dimethoxymethane 603.61
    ethylene carbonate 665.19
    cyrene 371.93
    2-ethoxyethyl acetate 523.4
    2-ethylhexyl acetate 571.74
    1,2,4-trichlorobenzene 579.49
    4-methylpyridine 982.57
    dibutyl ether 512.64
    2,6-dimethyl-4-heptanol 295.18
    DEF 655.02
    dimethyl isosorbide 729.29
    tetrachloroethylene 1058.97
    eugenol 337.15
    triacetin 538.35
    span 80 515.17
    1,4-butanediol 441.72
    1,1-dichloroethane 1350.72
    2-methyl-1-pentanol 622.51
    methyl formate 347.45
    2-methyl-1-butanol 876.47
    n-decane 73.08
    butyronitrile 1012.19
    3,7-dimethyl-1-octanol 362.88
    1-chlorooctane 234.36
    1-chlorotetradecane 90.25
    n-nonane 74.7
    undecane 48.62
    tert-butylcyclohexane 129.44
    cyclooctane 111.67
    cyclopentanol 1065.54
    tetrahydropyran 2504.34
    tert-amyl methyl ether 718.32
    2,5,8-trioxanonane 823.67
    1-hexene 545.3
    2-isopropoxyethanol 765.23
    2,2,2-trifluoroethanol 340.38
    methyl butyrate 654.99

    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