Acetaldehyde, ((3,7-dimethyl-2,6-octadienyl)oxy)-

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  • Identifiers

    CAS number
    68213-87-6

    Molecular formula
    C12H20O2

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

  • Odor profile

    Fragrance
    Floral 87.95%
    Sweet 75.59%
    Rose 70.12%
    Fresh 66.68%
    Waxy 63.88%
    Citrus 61.93%
    Green 57.52%
    Aldehydic 56.23%
    Lily 49.44%
    Muguet 46.31%

     

    Flavor
    Green 68.66%
    Floral 51.81%
    Sweet 50.77%
    Rose 49.63%
    Waxy 49.32%
    Bitter 46.78%
    Fruity 42.88%
    Fresh 39.21%
    Citrus 37.65%
    Herbal 34.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.95 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    261°C

    Flash point

    • 111.71 ˚C est.

  • Synonyms

    • 68213-87-6
    • 2-[(3,7-Dimethyl-2,6-octadien-1-yl)oxy]acetaldehyde
    • 2-[(3,7-Dimethylocta-2,6-dien-1-yl)oxy]acetaldehyde
    • 269-270-7
    • DTXSID6071241
    • Acetaldehyde, [(3,7-dimethyl-2,6-octadienyl)oxy]-
    • Geranyl oxyacetaldehyde
    • Acetaldehyde, ((3,7-dimethyl-2,6-octadienyl)oxy)-
    • (E)-geranyl oxyacetaldehyde
    • DTXCID3045691
    • NS00091519
    • Acetaldehyde, (3,7-dimethyl-2,6-octadienyl)oxy-

  • Applications

    Acetaldehyde, ((3,7-dimethyl-2,6-octadienyl)oxy)- (CAS 68213-87-6) is typically used as a fragrance ingredient and fixative in perfumery, where its terpene-like structure contributes fresh, green notes and helps stabilize fragrance profiles; it is also employed as an odor-active component in cosmetics and personal care products and in household cleaning formulations. In industrial manufacturing, it may serve as an intermediate in fragrance synthesis and as a solvent or processing aid in fragrance-related chemistry, and it can be incorporated as a scent-bearing additive in coatings, inks and certain polymers/plastics. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 477.4
    methanol 419.47
    isopropanol 303.29
    water 0.33
    ethyl acetate 354.04
    n-propanol 331.09
    acetone 235.67
    n-butanol 340.59
    acetonitrile 238.06
    DMF 141.47
    toluene 155.34
    isobutanol 191.05
    1,4-dioxane 645.52
    methyl acetate 244.92
    THF 616.52
    2-butanone 269.26
    n-pentanol 227.4
    sec-butanol 284.71
    n-hexane 54.16
    ethylene glycol 52.93
    NMP 143.43
    cyclohexane 114.33
    DMSO 310.03
    n-butyl acetate 224.26
    n-octanol 68.94
    chloroform 843.42
    n-propyl acetate 221.64
    acetic acid 270.27
    dichloromethane 661.7
    cyclohexanone 319.05
    propylene glycol 150.74
    isopropyl acetate 162.41
    DMAc 196.3
    2-ethoxyethanol 366.79
    isopentanol 221.49
    n-heptane 39.14
    ethyl formate 160.61
    1,2-dichloroethane 398.44
    n-hexanol 250.76
    2-methoxyethanol 465.14
    isobutyl acetate 130.53
    tetrachloromethane 116.53
    n-pentyl acetate 103.14
    transcutol 1105.54
    n-heptanol 76.3
    ethylbenzene 93.64
    MIBK 126.43
    2-propoxyethanol 354.68
    tert-butanol 346.94
    MTBE 258.17
    2-butoxyethanol 158.56
    propionic acid 191.49
    o-xylene 99.22
    formic acid 75.32
    diethyl ether 405.02
    m-xylene 105.64
    p-xylene 108.02
    chlorobenzene 157.27
    dimethyl carbonate 45.17
    n-octane 11.21
    formamide 98.93
    cyclopentanone 258.52
    2-pentanone 206.08
    anisole 181.89
    cyclopentyl methyl ether 266.37
    gamma-butyrolactone 264.41
    1-methoxy-2-propanol 333.01
    pyridine 392.83
    3-pentanone 165.35
    furfural 289.55
    n-dodecane 7.48
    diethylene glycol 215.42
    diisopropyl ether 81.45
    tert-amyl alcohol 260.53
    acetylacetone 188.2
    n-hexadecane 8.62
    acetophenone 158.23
    methyl propionate 175.43
    isopentyl acetate 195.43
    trichloroethylene 654.66
    n-nonanol 66.48
    cyclohexanol 272.68
    benzyl alcohol 162.23
    2-ethylhexanol 139.83
    isooctanol 64.2
    dipropyl ether 201.09
    1,2-dichlorobenzene 151.19
    ethyl lactate 102.63
    propylene carbonate 168.08
    n-methylformamide 97.18
    2-pentanol 218.67
    n-pentane 47.4
    1-propoxy-2-propanol 273.81
    1-methoxy-2-propyl acetate 220.88
    2-(2-methoxypropoxy) propanol 204.02
    mesitylene 69.14
    ε-caprolactone 294.56
    p-cymene 64.5
    epichlorohydrin 451.72
    1,1,1-trichloroethane 357.47
    2-aminoethanol 154.06
    morpholine-4-carbaldehyde 268.49
    sulfolane 261.54
    2,2,4-trimethylpentane 23.44
    2-methyltetrahydrofuran 471.49
    n-hexyl acetate 143.69
    isooctane 16.33
    2-(2-butoxyethoxy)ethanol 263.88
    sec-butyl acetate 148.57
    tert-butyl acetate 170.94
    decalin 38.55
    glycerin 141.46
    diglyme 497.03
    acrylic acid 130.43
    isopropyl myristate 63.09
    n-butyric acid 301.22
    acetyl acetate 165.25
    di(2-ethylhexyl) phthalate 64.83
    ethyl propionate 171.0
    nitromethane 288.7
    1,2-diethoxyethane 342.67
    benzonitrile 162.54
    trioctyl phosphate 40.43
    1-bromopropane 280.62
    gamma-valerolactone 378.59
    n-decanol 49.51
    triethyl phosphate 93.43
    4-methyl-2-pentanol 97.7
    propionitrile 205.33
    vinylene carbonate 157.51
    1,1,2-trichlorotrifluoroethane 314.93
    DMS 119.1
    cumene 66.03
    2-octanol 46.78
    2-hexanone 198.04
    octyl acetate 72.55
    limonene 106.84
    1,2-dimethoxyethane 484.4
    ethyl orthosilicate 100.99
    tributyl phosphate 58.98
    diacetone alcohol 184.59
    N,N-dimethylaniline 115.7
    acrylonitrile 190.56
    aniline 191.83
    1,3-propanediol 235.18
    bromobenzene 165.87
    dibromomethane 491.33
    1,1,2,2-tetrachloroethane 589.32
    2-methyl-cyclohexyl acetate 156.02
    tetrabutyl urea 70.41
    diisobutyl methanol 83.49
    2-phenylethanol 151.96
    styrene 111.45
    dioctyl adipate 108.34
    dimethyl sulfate 64.61
    ethyl butyrate 195.9
    methyl lactate 81.54
    butyl lactate 96.55
    diethyl carbonate 134.24
    propanediol butyl ether 147.4
    triethyl orthoformate 151.84
    p-tert-butyltoluene 64.95
    methyl 4-tert-butylbenzoate 126.79
    morpholine 792.71
    tert-butylamine 229.36
    n-dodecanol 39.51
    dimethoxymethane 166.12
    ethylene carbonate 144.21
    cyrene 146.85
    2-ethoxyethyl acetate 170.17
    2-ethylhexyl acetate 156.75
    1,2,4-trichlorobenzene 186.62
    4-methylpyridine 287.69
    dibutyl ether 133.39
    2,6-dimethyl-4-heptanol 83.49
    DEF 198.93
    dimethyl isosorbide 284.57
    tetrachloroethylene 358.9
    eugenol 124.7
    triacetin 174.16
    span 80 163.73
    1,4-butanediol 95.78
    1,1-dichloroethane 396.01
    2-methyl-1-pentanol 173.68
    methyl formate 68.81
    2-methyl-1-butanol 206.75
    n-decane 14.38
    butyronitrile 233.55
    3,7-dimethyl-1-octanol 89.21
    1-chlorooctane 57.12
    1-chlorotetradecane 23.25
    n-nonane 14.25
    undecane 9.73
    tert-butylcyclohexane 32.83
    cyclooctane 31.07
    cyclopentanol 186.59
    tetrahydropyran 698.08
    tert-amyl methyl ether 191.98
    2,5,8-trioxanonane 325.91
    1-hexene 172.21
    2-isopropoxyethanol 229.56
    2,2,2-trifluoroethanol 62.11
    methyl butyrate 219.03

    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