Acetaldehyde, 2-((3,7-dimethyloctyl)oxy)-

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  • Identifiers

    CAS number
    41767-05-9

    Molecular formula
    C12H24O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 78.59%
    Green 72.03%
    Fresh 63.78%
    Sweet 63.26%
    Rose 57.69%
    Citrus 56.97%
    Aldehydic 54.47%
    Waxy 50.95%
    Lily 49.93%
    Muguet 44.43%

     

    Flavor
    Green 57.56%
    Waxy 49.64%
    Floral 43.18%
    Oily 36.51%
    Fresh 36.11%
    Mushroom 30.44%
    Citrus 30.29%
    Fruity 30.04%
    Herbal 29.97%
    Fatty 29.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.08 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 103.84 ˚C est.

  • Synonyms

    • 3,7-Dimethyloctyloxyacetaldehyde
    • EINECS 255-542-2
    • (3,7-Dimethyloctanoxy)acetaldehyde
    • Acetaldehyde, ((3,7-dimethyloctyl)oxy)-
    • Acetaldehyde, [(3,7-dimethyloctyl)oxy]-
    • Acetaldehyde, 2-((3,7-dimethyloctyl)oxy)-
    • DTXSID30885847
    • Acetaldehyde, 2-[(3,7-dimethyloctyl)oxy]-
    • RefChem:551504
    • DTXCID601025207
    • [(3,7-dimethyloctyl)oxy]acetaldehyde
    • 41767-05-9
    • ((3,7-Dimethyloctyl)oxy)acetaldehyde
    • SCHEMBL229440
    • BGUUSKIYBZUCDC-UHFFFAOYSA-N
    • NS00057941
    • 41767-05-9

  • Applications

    Acetaldehyde, 2-((3,7-dimethyloctyl)oxy)- (CAS 41767-05-9) is primarily used as a fragrance ingredient and synthetic intermediate; in perfumery it functions as a fragrance component or fixative to extend aroma. In cosmetics and personal care it is commonly used as a solvent or carrier for fragrances and may be present in perfumes, body care formulations, and bath products, depending on formulation compatibility. In household and cleaning products it appears as a fragrance additive in cleaners and air fresheners to impart a pleasant scent. In coatings/inks it can be employed as an odorant additive or fragrance carrier to impart scent in surface coatings or printed materials. In industrial manufacturing it may serve as an intermediate in fragrance synthesis or as a solvent in formulation work, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2738.75
    methanol 2334.13
    isopropanol 2043.4
    water 0.18
    ethyl acetate 1807.07
    n-propanol 2047.93
    acetone 1904.55
    n-butanol 1900.57
    acetonitrile 1092.58
    DMF 681.73
    toluene 449.77
    isobutanol 1354.89
    1,4-dioxane 2265.58
    methyl acetate 987.48
    THF 3206.66
    2-butanone 1461.08
    n-pentanol 1274.25
    sec-butanol 1550.17
    n-hexane 303.63
    ethylene glycol 184.11
    NMP 582.45
    cyclohexane 579.74
    DMSO 1576.63
    n-butyl acetate 1499.04
    n-octanol 324.48
    chloroform 2690.6
    n-propyl acetate 1246.89
    acetic acid 1089.26
    dichloromethane 2453.06
    cyclohexanone 2177.1
    propylene glycol 462.52
    isopropyl acetate 995.14
    DMAc 471.22
    2-ethoxyethanol 1420.44
    isopentanol 1539.52
    n-heptane 192.48
    ethyl formate 858.17
    1,2-dichloroethane 1774.13
    n-hexanol 1383.33
    2-methoxyethanol 2093.2
    isobutyl acetate 687.56
    tetrachloromethane 487.38
    n-pentyl acetate 574.26
    transcutol 3367.05
    n-heptanol 384.16
    ethylbenzene 276.52
    MIBK 805.8
    2-propoxyethanol 1614.49
    tert-butanol 2123.75
    MTBE 1422.84
    2-butoxyethanol 714.24
    propionic acid 875.47
    o-xylene 281.83
    formic acid 237.36
    diethyl ether 1830.35
    m-xylene 347.98
    p-xylene 344.63
    chlorobenzene 655.85
    dimethyl carbonate 141.53
    n-octane 52.27
    formamide 314.58
    cyclopentanone 1606.95
    2-pentanone 1392.29
    anisole 509.64
    cyclopentyl methyl ether 1514.37
    gamma-butyrolactone 1568.04
    1-methoxy-2-propanol 1628.7
    pyridine 1340.6
    3-pentanone 731.84
    furfural 1229.24
    n-dodecane 26.91
    diethylene glycol 851.35
    diisopropyl ether 451.91
    tert-amyl alcohol 1333.87
    acetylacetone 1042.1
    n-hexadecane 31.86
    acetophenone 470.62
    methyl propionate 805.38
    isopentyl acetate 1194.66
    trichloroethylene 2647.29
    n-nonanol 273.76
    cyclohexanol 1661.14
    benzyl alcohol 479.94
    2-ethylhexanol 808.15
    isooctanol 337.07
    dipropyl ether 1078.53
    1,2-dichlorobenzene 595.06
    ethyl lactate 377.06
    propylene carbonate 965.77
    n-methylformamide 561.31
    2-pentanol 1228.58
    n-pentane 226.31
    1-propoxy-2-propanol 1453.26
    1-methoxy-2-propyl acetate 1056.16
    2-(2-methoxypropoxy) propanol 527.07
    mesitylene 232.92
    ε-caprolactone 1709.3
    p-cymene 225.18
    epichlorohydrin 2185.89
    1,1,1-trichloroethane 1609.98
    2-aminoethanol 634.49
    morpholine-4-carbaldehyde 1007.5
    sulfolane 1351.92
    2,2,4-trimethylpentane 95.62
    2-methyltetrahydrofuran 2586.42
    n-hexyl acetate 684.69
    isooctane 85.15
    2-(2-butoxyethoxy)ethanol 787.52
    sec-butyl acetate 786.13
    tert-butyl acetate 954.11
    decalin 151.56
    glycerin 409.94
    diglyme 1606.47
    acrylic acid 492.52
    isopropyl myristate 231.22
    n-butyric acid 2022.82
    acetyl acetate 700.1
    di(2-ethylhexyl) phthalate 196.82
    ethyl propionate 850.53
    nitromethane 1346.32
    1,2-diethoxyethane 1296.09
    benzonitrile 652.36
    trioctyl phosphate 152.65
    1-bromopropane 1370.42
    gamma-valerolactone 2182.82
    n-decanol 187.18
    triethyl phosphate 306.71
    4-methyl-2-pentanol 606.15
    propionitrile 1048.99
    vinylene carbonate 732.03
    1,1,2-trichlorotrifluoroethane 1220.55
    DMS 346.44
    cumene 195.18
    2-octanol 244.74
    2-hexanone 1152.52
    octyl acetate 264.87
    limonene 442.34
    1,2-dimethoxyethane 1994.66
    ethyl orthosilicate 340.67
    tributyl phosphate 218.63
    diacetone alcohol 965.6
    N,N-dimethylaniline 275.68
    acrylonitrile 860.82
    aniline 663.86
    1,3-propanediol 1110.21
    bromobenzene 665.51
    dibromomethane 1818.03
    1,1,2,2-tetrachloroethane 2160.37
    2-methyl-cyclohexyl acetate 619.27
    tetrabutyl urea 239.45
    diisobutyl methanol 435.05
    2-phenylethanol 537.92
    styrene 347.39
    dioctyl adipate 341.32
    dimethyl sulfate 204.47
    ethyl butyrate 1037.66
    methyl lactate 321.1
    butyl lactate 443.43
    diethyl carbonate 521.09
    propanediol butyl ether 544.08
    triethyl orthoformate 624.53
    p-tert-butyltoluene 219.39
    methyl 4-tert-butylbenzoate 360.82
    morpholine 3133.17
    tert-butylamine 1392.81
    n-dodecanol 137.61
    dimethoxymethane 740.01
    ethylene carbonate 766.4
    cyrene 386.75
    2-ethoxyethyl acetate 678.67
    2-ethylhexyl acetate 882.86
    1,2,4-trichlorobenzene 654.73
    4-methylpyridine 1193.85
    dibutyl ether 674.87
    2,6-dimethyl-4-heptanol 435.05
    DEF 944.46
    dimethyl isosorbide 832.81
    tetrachloroethylene 1412.37
    eugenol 344.58
    triacetin 514.95
    span 80 495.67
    1,4-butanediol 413.21
    1,1-dichloroethane 1869.6
    2-methyl-1-pentanol 886.32
    methyl formate 348.15
    2-methyl-1-butanol 1206.29
    n-decane 58.77
    butyronitrile 1493.49
    3,7-dimethyl-1-octanol 398.34
    1-chlorooctane 247.94
    1-chlorotetradecane 77.3
    n-nonane 64.21
    undecane 37.46
    tert-butylcyclohexane 134.83
    cyclooctane 131.71
    cyclopentanol 1379.06
    tetrahydropyran 3345.97
    tert-amyl methyl ether 853.15
    2,5,8-trioxanonane 846.57
    1-hexene 927.0
    2-isopropoxyethanol 927.1
    2,2,2-trifluoroethanol 222.33
    methyl butyrate 1234.46

    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