2-Phenylpropionaldehyde dimethyl acetal

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  • Identifiers

    CAS number
    90-87-9

    Molecular formula
    C11H16O2

    SMILES
    CC(C1=CC=CC=C1)C(OC)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 89.67%
    Floral 89.04%
    Earthy 59.88%
    Hyacinth 57.94%
    Rose 56.71%
    Leafy 51.15%
    Sweet 47.67%
    Fresh 45.3%
    Fruity 40.86%
    Honey 38.49%

     

    Flavor
    Green 81.42%
    Floral 70.08%
    Fruity 49.72%
    Bitter 43.58%
    Earthy 40.65%
    Tropical 37.17%
    Rose 33.76%
    Hyacinth 29.43%
    Mushroom 28.89%
    Leaf 27.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.16 (neutral)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 111.00 to 112.00 °C. @ 12.00 mm Hg

    Flash point

    • 87.15 ˚C est.

    Solubility expt.

    • Soluble in ether; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Phenylpropionaldehyde dimethyl acetal
    • 90-87-9
    • 1,1-Dimethoxy-2-phenylpropane
    • Hydratropic aldehyde dimethyl acetal
    • Hydratropaldehyde dimethyl acetal
    • (1,1-Dimethoxypropan-2-yl)benzene
    • 2-Phenylpropanal dimethyl acetal
    • 2-Phenylpropanal dimethylacetal
    • Hydrotropic aldehyde dimethyl acetal
    • Hydrotropaldehyde dimethyl acetal
    • 1,1-dimethoxypropan-2-ylbenzene
    • FEMA No. 2888
    • BENZENE, (2,2-DIMETHOXY-1-METHYLETHYL)-
    • Hydratropaldehyde, dimethyl acetal
    • EINECS 202-022-8
    • NSC 46115
    • (2,2-Dimethoxy-1-methylethyl)benzene
    • 2-Phenylpropionaldehyde-dimethyl acetal
    • BRN 2091958
    • H41WGL6C12
    • DTXSID6047109
    • AI3-28635
    • alpha-Methylphenacetaldehyde dimethyl acetal
    • .alpha.-Methylphenacetaldehyde dimethyl acetal
    • NSC-46115
    • DTXCID4027109
    • 2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL [FCC]
    • 2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL [FHFI]
    • 2-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL, (+/-)-
    • UNII-H41WGL6C12
    • 2-phenyl propionaldehyde dimethyl acetal
    • SCHEMBL113399
    • CHEMBL3186598
    • CHEBI:169513
    • NSC46115
    • Tox21_302706
    • Benzene,2-dimethoxy-1-methylethyl)-
    • AKOS015890818
    • CAS-90-87-9
    • NCGC00256696-01
    • (2,2-Dimethoxy-1-methylethyl)benzene #
    • NS00012626
    • 2-Phenylpropionaldehyde dimethyl acetal, 99%
    • 2-Phenylpropionaldehyde dimethyl acetal, >=97%, FCC
    • Q27279617

  • Applications

    2-Phenylpropionaldehyde dimethyl acetal (CAS 90-87-9) is primarily used as an intermediate and aldehyde-protecting reagent in organic synthesis; it protects the aldehyde functionality during multi-step sequences and can be deprotected later to release the aldehyde. In fragrance chemistry, aldehyde acetals can serve as precursors or masked forms to help control odor release and formulation stability. Additional applications may include coatings and inks, cleaning formulations, and as an intermediate in pharmaceutical synthesis or in the field of polymers and plastics, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1849.32
    methanol 2204.52
    isopropanol 1199.72
    water 10.95
    ethyl acetate 1395.5
    n-propanol 1442.51
    acetone 1160.58
    n-butanol 1401.68
    acetonitrile 1871.1
    DMF 956.12
    toluene 592.66
    isobutanol 1090.2
    1,4-dioxane 2800.66
    methyl acetate 1138.75
    THF 1721.88
    2-butanone 934.9
    n-pentanol 899.37
    sec-butanol 1042.39
    n-hexane 200.73
    ethylene glycol 352.57
    NMP 692.34
    cyclohexane 548.15
    DMSO 854.69
    n-butyl acetate 875.65
    n-octanol 329.37
    chloroform 5622.18
    n-propyl acetate 836.06
    acetic acid 1981.31
    dichloromethane 5369.54
    cyclohexanone 1385.01
    propylene glycol 307.97
    isopropyl acetate 659.98
    DMAc 630.0
    2-ethoxyethanol 1261.4
    isopentanol 1033.27
    n-heptane 185.8
    ethyl formate 1232.13
    1,2-dichloroethane 2646.82
    n-hexanol 809.65
    2-methoxyethanol 1700.21
    isobutyl acetate 492.82
    tetrachloromethane 1154.15
    n-pentyl acetate 453.46
    transcutol 1543.69
    n-heptanol 376.65
    ethylbenzene 324.27
    MIBK 436.31
    2-propoxyethanol 968.57
    tert-butanol 1508.03
    MTBE 1203.12
    2-butoxyethanol 579.89
    propionic acid 1077.5
    o-xylene 343.66
    formic acid 674.24
    diethyl ether 1779.31
    m-xylene 341.68
    p-xylene 425.76
    chlorobenzene 938.98
    dimethyl carbonate 330.52
    n-octane 74.3
    formamide 849.17
    cyclopentanone 1102.99
    2-pentanone 799.99
    anisole 634.02
    cyclopentyl methyl ether 946.91
    gamma-butyrolactone 1478.24
    1-methoxy-2-propanol 845.52
    pyridine 1518.94
    3-pentanone 624.26
    furfural 1256.23
    n-dodecane 46.51
    diethylene glycol 664.52
    diisopropyl ether 360.98
    tert-amyl alcohol 1056.05
    acetylacetone 658.08
    n-hexadecane 52.79
    acetophenone 491.34
    methyl propionate 750.2
    isopentyl acetate 636.3
    trichloroethylene 4113.77
    n-nonanol 272.52
    cyclohexanol 1136.38
    benzyl alcohol 549.38
    2-ethylhexanol 476.9
    isooctanol 298.16
    dipropyl ether 708.61
    1,2-dichlorobenzene 801.45
    ethyl lactate 303.42
    propylene carbonate 937.5
    n-methylformamide 913.38
    2-pentanol 748.93
    n-pentane 246.85
    1-propoxy-2-propanol 618.03
    1-methoxy-2-propyl acetate 484.58
    2-(2-methoxypropoxy) propanol 326.54
    mesitylene 237.17
    ε-caprolactone 1158.19
    p-cymene 215.34
    epichlorohydrin 1997.51
    1,1,1-trichloroethane 2394.39
    2-aminoethanol 700.36
    morpholine-4-carbaldehyde 1038.09
    sulfolane 1111.18
    2,2,4-trimethylpentane 114.84
    2-methyltetrahydrofuran 1493.69
    n-hexyl acetate 548.46
    isooctane 79.8
    2-(2-butoxyethoxy)ethanol 485.05
    sec-butyl acetate 501.58
    tert-butyl acetate 628.41
    decalin 152.14
    glycerin 430.01
    diglyme 1130.88
    acrylic acid 835.01
    isopropyl myristate 194.16
    n-butyric acid 1520.03
    acetyl acetate 776.31
    di(2-ethylhexyl) phthalate 168.44
    ethyl propionate 605.02
    nitromethane 2013.09
    1,2-diethoxyethane 851.34
    benzonitrile 747.0
    trioctyl phosphate 138.61
    1-bromopropane 1511.27
    gamma-valerolactone 1365.75
    n-decanol 190.72
    triethyl phosphate 260.45
    4-methyl-2-pentanol 358.15
    propionitrile 1262.53
    vinylene carbonate 983.99
    1,1,2-trichlorotrifluoroethane 1333.91
    DMS 343.89
    cumene 231.97
    2-octanol 247.86
    2-hexanone 620.48
    octyl acetate 246.17
    limonene 325.53
    1,2-dimethoxyethane 1751.77
    ethyl orthosilicate 277.31
    tributyl phosphate 172.61
    diacetone alcohol 544.36
    N,N-dimethylaniline 366.29
    acrylonitrile 1259.13
    aniline 716.52
    1,3-propanediol 1067.18
    bromobenzene 1005.96
    dibromomethane 3408.98
    1,1,2,2-tetrachloroethane 3027.31
    2-methyl-cyclohexyl acetate 391.37
    tetrabutyl urea 197.12
    diisobutyl methanol 258.98
    2-phenylethanol 433.31
    styrene 454.19
    dioctyl adipate 255.71
    dimethyl sulfate 373.2
    ethyl butyrate 660.77
    methyl lactate 288.87
    butyl lactate 282.91
    diethyl carbonate 459.33
    propanediol butyl ether 350.09
    triethyl orthoformate 438.56
    p-tert-butyltoluene 208.36
    methyl 4-tert-butylbenzoate 348.48
    morpholine 2450.07
    tert-butylamine 1092.14
    n-dodecanol 147.11
    dimethoxymethane 936.34
    ethylene carbonate 908.32
    cyrene 361.43
    2-ethoxyethyl acetate 513.89
    2-ethylhexyl acetate 492.76
    1,2,4-trichlorobenzene 856.31
    4-methylpyridine 1174.87
    dibutyl ether 465.61
    2,6-dimethyl-4-heptanol 258.98
    DEF 935.36
    dimethyl isosorbide 550.51
    tetrachloroethylene 2312.28
    eugenol 346.28
    triacetin 383.02
    span 80 294.92
    1,4-butanediol 470.58
    1,1-dichloroethane 2551.3
    2-methyl-1-pentanol 688.67
    methyl formate 862.13
    2-methyl-1-butanol 1029.43
    n-decane 83.56
    butyronitrile 1375.79
    3,7-dimethyl-1-octanol 279.65
    1-chlorooctane 288.28
    1-chlorotetradecane 107.16
    n-nonane 91.13
    undecane 59.04
    tert-butylcyclohexane 132.8
    cyclooctane 152.15
    cyclopentanol 890.59
    tetrahydropyran 2244.97
    tert-amyl methyl ether 751.22
    2,5,8-trioxanonane 607.88
    1-hexene 532.94
    2-isopropoxyethanol 780.49
    2,2,2-trifluoroethanol 702.47
    methyl butyrate 933.99

    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