Phenyl acetaldehyde diisobutyl acetal

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  • Identifiers

    CAS number
    68345-22-2

    Molecular formula
    C16H26O2

    SMILES
    CC(C)COC(CC1=CC=CC=C1)OCC(C)C

  • Odor profile

    Green 89.58%
    Floral 85.07%
    Sweet 69.59%
    Rose 61.58%
    Fruity 56.87%
    Hyacinth 56.01%
    Honey 42.74%
    Leafy 41.62%
    Almond 40.22%
    Cocoa 38.3%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point est.
    119.5 ˚C

    Solubility expt.

    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 68345-22-2
    • [2,2-bis(2-methylpropoxy)ethyl]benzene
    • Phenylacetaldehyde diisobutyl acetal
    • phenyl acetaldehyde diisobutyl acetal
    • 2,2-bis(2-methylpropoxy)ethylbenzene
    • 1,1-Diisobutoxy-2-phenylethane
    • FEMA No. 3384
    • (2,2-Bis(2-methylpropoxy)ethyl)benzene
    • Phenylacetaldehyde, diisobutyl acetal
    • M7DD3LIZ6U
    • EINECS 269-851-5
    • Benzene, (2,2-bis(2-methylpropoxy)ethyl)-
    • Benzene,[2,2-bis(2-methylpropoxy)ethyl]-
    • DTXSID2071441
    • Benzene, [2,2-bis(2-methylpropoxy)ethyl]-
    • PHENYLACETALDEHYDE DIISOBUTYL ACETAL [FHFI]
    • (2,2-diisobutoxyethyl)benzene
    • UNII-M7DD3LIZ6U
    • SCHEMBL873066
    • DTXCID4045896
    • FEMA 3384
    • CHEBI:174311
    • IORFKGJOBOCHPX-UHFFFAOYSA-N
    • (2,2-bis(2-methylpropoxy)ethyl)-Benzene
    • Benzene, 2,2-bis(2-methylpropoxy)ethyl-
    • NS00022684
    • [2,2-Bis(2-methylpropoxy)ethyl]benzene, 9CI
    • Q27283586
    • 269-851-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 718.96
    methanol 507.23
    isopropanol 600.64
    water 0.68
    ethyl acetate 1369.66
    n-propanol 604.23
    acetone 1269.34
    n-butanol 760.9
    acetonitrile 740.83
    DMF 880.48
    toluene 760.24
    isobutanol 624.0
    1,4-dioxane 1548.34
    methyl acetate 960.69
    THF 1736.08
    2-butanone 999.49
    n-pentanol 712.18
    sec-butanol 668.91
    n-hexane 820.35
    ethylene glycol 84.8
    NMP 828.3
    cyclohexane 1039.2
    DMSO 834.24
    n-butyl acetate 2041.62
    n-octanol 591.06
    chloroform 4184.94
    n-propyl acetate 1252.12
    acetic acid 961.64
    dichloromethane 3471.26
    cyclohexanone 1704.16
    propylene glycol 152.13
    isopropyl acetate 1103.32
    DMAc 1034.69
    2-ethoxyethanol 806.54
    isopentanol 884.94
    n-heptane 646.78
    ethyl formate 755.87
    1,2-dichloroethane 2325.88
    n-hexanol 1130.56
    2-methoxyethanol 755.58
    isobutyl acetate 985.58
    tetrachloromethane 809.3
    n-pentyl acetate 1045.87
    transcutol 2471.24
    n-heptanol 612.61
    ethylbenzene 668.36
    MIBK 826.8
    2-propoxyethanol 1144.02
    tert-butanol 915.01
    MTBE 1403.1
    2-butoxyethanol 925.97
    propionic acid 598.05
    o-xylene 620.67
    formic acid 169.58
    diethyl ether 1308.08
    m-xylene 599.15
    p-xylene 1006.06
    chlorobenzene 1146.75
    dimethyl carbonate 393.12
    n-octane 259.23
    formamide 209.68
    cyclopentanone 1340.6
    2-pentanone 1043.95
    anisole 870.95
    cyclopentyl methyl ether 1121.17
    gamma-butyrolactone 1347.86
    1-methoxy-2-propanol 679.65
    pyridine 1078.43
    3-pentanone 862.19
    furfural 1171.78
    n-dodecane 148.45
    diethylene glycol 544.0
    diisopropyl ether 675.74
    tert-amyl alcohol 882.17
    acetylacetone 1238.36
    n-hexadecane 166.86
    acetophenone 870.07
    methyl propionate 777.83
    isopentyl acetate 1808.08
    trichloroethylene 3712.24
    n-nonanol 552.95
    cyclohexanol 945.34
    benzyl alcohol 586.49
    2-ethylhexanol 982.12
    isooctanol 558.9
    dipropyl ether 1388.51
    1,2-dichlorobenzene 1170.09
    ethyl lactate 454.58
    propylene carbonate 1134.62
    n-methylformamide 377.27
    2-pentanol 693.35
    n-pentane 466.42
    1-propoxy-2-propanol 1106.4
    1-methoxy-2-propyl acetate 1187.13
    2-(2-methoxypropoxy) propanol 721.6
    mesitylene 490.65
    ε-caprolactone 1491.42
    p-cymene 571.28
    epichlorohydrin 1784.02
    1,1,1-trichloroethane 2580.33
    2-aminoethanol 204.89
    morpholine-4-carbaldehyde 1063.22
    sulfolane 1267.32
    2,2,4-trimethylpentane 257.29
    2-methyltetrahydrofuran 1428.61
    n-hexyl acetate 1253.49
    isooctane 203.76
    2-(2-butoxyethoxy)ethanol 996.79
    sec-butyl acetate 1006.84
    tert-butyl acetate 1149.56
    decalin 506.98
    glycerin 201.69
    diglyme 1877.97
    acrylic acid 473.08
    isopropyl myristate 589.3
    n-butyric acid 1224.24
    acetyl acetate 1063.8
    di(2-ethylhexyl) phthalate 415.87
    ethyl propionate 986.31
    nitromethane 1165.89
    1,2-diethoxyethane 1519.54
    benzonitrile 884.44
    trioctyl phosphate 338.89
    1-bromopropane 1531.12
    gamma-valerolactone 1572.1
    n-decanol 410.62
    triethyl phosphate 559.11
    4-methyl-2-pentanol 502.89
    propionitrile 674.62
    vinylene carbonate 971.78
    1,1,2-trichlorotrifluoroethane 1288.41
    DMS 766.74
    cumene 549.85
    2-octanol 455.34
    2-hexanone 1114.48
    octyl acetate 677.65
    limonene 859.14
    1,2-dimethoxyethane 1651.82
    ethyl orthosilicate 619.39
    tributyl phosphate 474.82
    diacetone alcohol 798.94
    N,N-dimethylaniline 690.35
    acrylonitrile 634.54
    aniline 592.02
    1,3-propanediol 419.99
    bromobenzene 1364.58
    dibromomethane 2542.2
    1,1,2,2-tetrachloroethane 3498.58
    2-methyl-cyclohexyl acetate 1016.07
    tetrabutyl urea 531.65
    diisobutyl methanol 599.08
    2-phenylethanol 710.32
    styrene 746.11
    dioctyl adipate 719.96
    dimethyl sulfate 473.26
    ethyl butyrate 1364.17
    methyl lactate 342.71
    butyl lactate 680.9
    diethyl carbonate 898.57
    propanediol butyl ether 616.57
    triethyl orthoformate 996.27
    p-tert-butyltoluene 542.52
    methyl 4-tert-butylbenzoate 750.26
    morpholine 1402.24
    tert-butylamine 739.07
    n-dodecanol 342.95
    dimethoxymethane 775.55
    ethylene carbonate 974.78
    cyrene 515.1
    2-ethoxyethyl acetate 1046.72
    2-ethylhexyl acetate 1499.23
    1,2,4-trichlorobenzene 1221.77
    4-methylpyridine 1288.25
    dibutyl ether 1260.32
    2,6-dimethyl-4-heptanol 599.08
    DEF 1058.65
    dimethyl isosorbide 1103.38
    tetrachloroethylene 2271.42
    eugenol 664.3
    triacetin 937.28
    span 80 726.08
    1,4-butanediol 267.05
    1,1-dichloroethane 2266.83
    2-methyl-1-pentanol 803.35
    methyl formate 391.38
    2-methyl-1-butanol 759.75
    n-decane 267.73
    butyronitrile 989.12
    3,7-dimethyl-1-octanol 675.13
    1-chlorooctane 720.53
    1-chlorotetradecane 302.91
    n-nonane 300.31
    undecane 183.78
    tert-butylcyclohexane 445.63
    cyclooctane 388.94
    cyclopentanol 643.87
    tetrahydropyran 1733.35
    tert-amyl methyl ether 1071.02
    2,5,8-trioxanonane 1142.29
    1-hexene 1199.13
    2-isopropoxyethanol 750.08
    2,2,2-trifluoroethanol 335.9
    methyl butyrate 1362.41

    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