3,7-Dimethyl-7-ethoxyoctanal

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  • Identifiers

    CAS number
    3613-33-0

    Molecular formula
    C12H24O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 86.57%
    Green 70.55%
    Citrus 67.21%
    Fresh 63.9%
    Sweet 61.61%
    Rose 55.06%
    Lily 54.55%
    Aldehydic 50.35%
    Muguet 46.03%
    Waxy 45.31%

     

    Flavor
    Green 74.17%
    Floral 65.81%
    Waxy 51.58%
    Citrus 44.28%
    Fruity 40.24%
    Rose 39.67%
    Fresh 39.65%
    Sweet 38.28%
    Lily 37.38%
    Oily 36.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.58 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 95.87 ˚C est.

  • Synonyms

    • 7-ethoxy-3,7-dimethyloctanal
    • 3,7-Dimethyl-7-ethoxyoctanal
    • Octanal, 7-ethoxy-3,7-dimethyl-
    • BRN 4369535
    • Octanal, 3,7-dimethyl-7-ethoxy-
    • H1WC04G31E
    • AI3-36184
    • Octanol, 7-ethoxy-3,7-dimethyl-
    • UNII-H1WC04G31E
    • RefChem:198137
    • 3613-33-0
    • SCHEMBL11876408
    • DTXSID30863221
    • 7-ethoxy-3,7-dimethyloctan-1-al
    • Q27279526
    • 3613-33-0

  • Applications

    3,7-Dimethyl-7-ethoxyoctanal (CAS 3613-33-0) is used primarily as an odorant and fragrance intermediate in perfumery, serving as a building block for more complex aroma compounds; it may also be employed as a fragrance ingredient in cosmetics and personal care products, and as a fragrance additive in household products such as cleaners and air fresheners. It is occasionally evaluated for use as a flavor/aroma chemical in niche food applications, and as an industrial intermediate in fragrance synthesis and specialty chemical manufacturing, subject to formulation considerations and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3747.39
    methanol 4646.84
    isopropanol 2674.22
    water 3.3
    ethyl acetate 1939.72
    n-propanol 2524.27
    acetone 1671.18
    n-butanol 2359.41
    acetonitrile 1298.18
    DMF 1013.02
    toluene 718.6
    isobutanol 1799.18
    1,4-dioxane 2943.91
    methyl acetate 1309.69
    THF 3425.57
    2-butanone 1370.67
    n-pentanol 1539.19
    sec-butanol 1932.44
    n-hexane 617.33
    ethylene glycol 346.04
    NMP 998.37
    cyclohexane 939.72
    DMSO 1023.53
    n-butyl acetate 1665.39
    n-octanol 693.36
    chloroform 3667.01
    n-propyl acetate 1084.89
    acetic acid 1684.42
    dichloromethane 2581.39
    cyclohexanone 2195.93
    propylene glycol 662.7
    isopropyl acetate 1236.36
    DMAc 975.74
    2-ethoxyethanol 1382.53
    isopentanol 1818.53
    n-heptane 431.14
    ethyl formate 1101.44
    1,2-dichloroethane 1509.98
    n-hexanol 2290.13
    2-methoxyethanol 2086.97
    isobutyl acetate 759.35
    tetrachloromethane 688.93
    n-pentyl acetate 816.73
    transcutol 3619.58
    n-heptanol 654.71
    ethylbenzene 408.36
    MIBK 758.08
    2-propoxyethanol 2245.63
    tert-butanol 2756.51
    MTBE 2149.62
    2-butoxyethanol 873.99
    propionic acid 1322.26
    o-xylene 454.55
    formic acid 546.66
    diethyl ether 2273.39
    m-xylene 499.16
    p-xylene 564.19
    chlorobenzene 906.66
    dimethyl carbonate 230.84
    n-octane 120.48
    formamide 453.1
    cyclopentanone 1417.88
    2-pentanone 1199.77
    anisole 621.52
    cyclopentyl methyl ether 1708.28
    gamma-butyrolactone 1581.53
    1-methoxy-2-propanol 1537.57
    pyridine 1497.1
    3-pentanone 844.04
    furfural 1212.74
    n-dodecane 79.49
    diethylene glycol 1091.09
    diisopropyl ether 665.25
    tert-amyl alcohol 1887.69
    acetylacetone 978.11
    n-hexadecane 89.76
    acetophenone 530.6
    methyl propionate 958.63
    isopentyl acetate 1413.1
    trichloroethylene 2382.37
    n-nonanol 559.12
    cyclohexanol 2066.63
    benzyl alcohol 596.65
    2-ethylhexanol 1092.71
    isooctanol 499.09
    dipropyl ether 1259.91
    1,2-dichlorobenzene 714.04
    ethyl lactate 382.67
    propylene carbonate 1060.54
    n-methylformamide 746.62
    2-pentanol 1418.05
    n-pentane 479.09
    1-propoxy-2-propanol 1663.25
    1-methoxy-2-propyl acetate 1267.69
    2-(2-methoxypropoxy) propanol 706.24
    mesitylene 340.96
    ε-caprolactone 1987.74
    p-cymene 321.4
    epichlorohydrin 1864.45
    1,1,1-trichloroethane 1844.73
    2-aminoethanol 985.11
    morpholine-4-carbaldehyde 1499.82
    sulfolane 1276.95
    2,2,4-trimethylpentane 203.25
    2-methyltetrahydrofuran 2745.76
    n-hexyl acetate 1227.22
    isooctane 162.41
    2-(2-butoxyethoxy)ethanol 1082.67
    sec-butyl acetate 803.89
    tert-butyl acetate 1219.49
    decalin 282.33
    glycerin 622.9
    diglyme 1764.6
    acrylic acid 716.99
    isopropyl myristate 390.1
    n-butyric acid 2275.76
    acetyl acetate 966.16
    di(2-ethylhexyl) phthalate 320.75
    ethyl propionate 793.16
    nitromethane 1465.41
    1,2-diethoxyethane 1519.98
    benzonitrile 846.64
    trioctyl phosphate 247.59
    1-bromopropane 1456.28
    gamma-valerolactone 2039.95
    n-decanol 367.59
    triethyl phosphate 352.21
    4-methyl-2-pentanol 772.07
    propionitrile 1243.76
    vinylene carbonate 936.74
    1,1,2-trichlorotrifluoroethane 1283.61
    DMS 579.98
    cumene 292.98
    2-octanol 476.77
    2-hexanone 984.04
    octyl acetate 467.42
    limonene 618.77
    1,2-dimethoxyethane 2097.19
    ethyl orthosilicate 403.35
    tributyl phosphate 346.44
    diacetone alcohol 986.91
    N,N-dimethylaniline 406.67
    acrylonitrile 932.19
    aniline 843.88
    1,3-propanediol 1427.94
    bromobenzene 938.78
    dibromomethane 2033.68
    1,1,2,2-tetrachloroethane 2134.62
    2-methyl-cyclohexyl acetate 726.21
    tetrabutyl urea 385.42
    diisobutyl methanol 499.58
    2-phenylethanol 767.54
    styrene 491.6
    dioctyl adipate 495.35
    dimethyl sulfate 295.22
    ethyl butyrate 1021.51
    methyl lactate 413.17
    butyl lactate 576.84
    diethyl carbonate 572.33
    propanediol butyl ether 817.98
    triethyl orthoformate 732.58
    p-tert-butyltoluene 320.96
    methyl 4-tert-butylbenzoate 485.12
    morpholine 3413.38
    tert-butylamine 1944.24
    n-dodecanol 272.05
    dimethoxymethane 973.77
    ethylene carbonate 987.01
    cyrene 501.54
    2-ethoxyethyl acetate 857.97
    2-ethylhexyl acetate 1113.77
    1,2,4-trichlorobenzene 830.69
    4-methylpyridine 1527.44
    dibutyl ether 1014.35
    2,6-dimethyl-4-heptanol 499.58
    DEF 1100.81
    dimethyl isosorbide 1033.05
    tetrachloroethylene 1386.84
    eugenol 449.24
    triacetin 794.05
    span 80 714.21
    1,4-butanediol 543.24
    1,1-dichloroethane 1995.89
    2-methyl-1-pentanol 1108.57
    methyl formate 524.73
    2-methyl-1-butanol 1511.61
    n-decane 155.3
    butyronitrile 1631.72
    3,7-dimethyl-1-octanol 628.34
    1-chlorooctane 465.04
    1-chlorotetradecane 172.62
    n-nonane 168.35
    undecane 104.4
    tert-butylcyclohexane 276.64
    cyclooctane 257.86
    cyclopentanol 1638.78
    tetrahydropyran 3690.04
    tert-amyl methyl ether 1304.02
    2,5,8-trioxanonane 1088.14
    1-hexene 1252.31
    2-isopropoxyethanol 977.68
    2,2,2-trifluoroethanol 410.01
    methyl butyrate 1117.25

    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