Phenyl acetaldehyde dimethyl acetal

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  • Identifiers

    CAS number
    101-48-4

    Molecular formula
    C10H14O2

    SMILES
    COC(CC1=CC=CC=C1)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 91.7%
    Floral 86.59%
    Rose 68.25%
    Hyacinth 61.66%
    Earthy 58.73%
    Leafy 54.9%
    Fresh 46.59%
    Mushroom 40.52%
    Honey 37.73%
    Geranium 36.35%

     

    Flavor
    Green 89.82%
    Floral 82.22%
    Bitter 71.73%
    Earthy 54.31%
    Hyacinth 52.67%
    Rose 48.11%
    Mushroom 37.36%
    Honey 31.97%
    Leaf 30.81%
    Fruity 29.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.32 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 219.00 to 221.00 °C. @ 754.00 mm Hg

    Flash point

    • 83.51 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils, propylene glycol
    • 1 mL in 2 mL 70% ethanol (in ethanol)

  • Synonyms

    • 101-48-4
    • Phenylacetaldehyde dimethyl acetal
    • (2,2-Dimethoxyethyl)benzene
    • Viridine
    • 1,1-Dimethoxy-2-phenylethane
    • 2,2-dimethoxyethylbenzene
    • BENZENE, (2,2-DIMETHOXYETHYL)-
    • Hyscylene P
    • PADMA
    • Phenacetaldehyde dimethyl acetal
    • 2,2-Dimethoxy-1-phenylethane
    • 2-Phenylacetaldehyde dimethyl acetal
    • Phenylacetic aldehyde dimethyl acetal
    • Acetaldehyde, phenyl-, dimethyl acetal
    • phenyl acetaldehyde dimethyl acetal
    • alpha-Tolyl aldehyde dimethyl acetal
    • FEMA No. 2876
    • alpha-Tolylaldehyde dimethyl acetal
    • Ethane, 1,1-dimethoxy-2-phenyl-
    • NSC 5174
    • EINECS 202-945-6
    • P8C94L4MUR
    • .alpha.-Tolylaldehyde dimethyl acetal
    • PHENYLACETALDEHYDE DIMETHYLACETAL
    • BRN 0879360
    • DTXSID3047001
    • AI3-02444
    • NSC-5174
    • DTXCID1027001
    • 4-07-00-00664 (Beilstein Handbook Reference)
    • PHENYLACETALDEHYDE DIMETHYL ACETAL [FCC]
    • PHENYLACETALDEHYDE DIMETHYL ACETAL [FHFI]
    • UNII-P8C94L4MUR
    • MFCD00008487
    • MANGANIAN ANDALUSITE
    • Benzene,2-dimethoxyethyl)-
    • SCHEMBL112281
    • (2,2-dimethoxyethyl)-benzene
    • phenylacetaldehyd-dimethylacetal
    • Ethane,1-dimethoxy-2-phenyl-
    • 1,1-Dimethoxy-2-phenyl-Ethane
    • CHEMBL3185401
    • WLN: 1OYO1 & 1R
    • FEMA 2876
    • WNJSKZBEWNVKGU-UHFFFAOYSA-
    • NSC5174
    • CHEBI:195781
    • (2,2-Dimethoxyethyl)benzene, 9CI
    • AAA10148
    • Phenylacetaldehyde dimethyl acetal;1,1-dimethoxy-2-phenylethane
    • Phenyl acetaldehyde, dimethyl acetal
    • Tox21_300675
    • BBL011496
    • STL146608
    • AKOS005721112
    • Phenylacetaldehyde dimethyl acetal, 97%
    • NCGC00248137-01
    • NCGC00254583-01
    • CAS-101-48-4
    • VS-02961
    • NS00005769
    • P1161
    • Viridine [benzene (2,2-di-methoxy ethyl)]
    • E79345
    • Phenylacetaldehyde dimethyl acetal, >=98%, FCC
    • Q27286370
    • InChI=1/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
    • 202-945-6

  • Applications

    Phenyl acetaldehyde dimethyl acetal (CAS 101-48-4) is primarily used as a masked aldehyde intermediate in fragrance and flavor chemistry, providing a stable precursor that can release phenylacetaldehyde under acidic or hydrolytic conditions to impart floral-woody notes. It also serves as an aldehyde-protecting group in multi-step organic synthesis, enabling selective transformations without aldehyde side reactions. In cosmetics and personal care, it functions as a fragrance ingredient or intermediate in formulation, subject to regulatory compliance. Additionally, it is employed as a building block for aroma-related derivatives and other specialty chemicals in industrial manufacturing, and as a practical intermediate in fragrance synthesis workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 727.04
    methanol 687.96
    isopropanol 510.81
    water 6.16
    ethyl acetate 579.38
    n-propanol 575.34
    acetone 326.97
    n-butanol 474.7
    acetonitrile 650.97
    DMF 440.86
    toluene 278.32
    isobutanol 394.64
    1,4-dioxane 1326.98
    methyl acetate 485.13
    THF 689.69
    2-butanone 341.16
    n-pentanol 313.52
    sec-butanol 442.73
    n-hexane 61.61
    ethylene glycol 233.38
    NMP 287.46
    cyclohexane 193.87
    DMSO 540.26
    n-butyl acetate 242.98
    n-octanol 111.48
    chloroform 3048.91
    n-propyl acetate 268.45
    acetic acid 860.91
    dichloromethane 2367.81
    cyclohexanone 496.09
    propylene glycol 274.6
    isopropyl acetate 217.69
    DMAc 379.45
    2-ethoxyethanol 568.07
    isopentanol 326.82
    n-heptane 66.66
    ethyl formate 404.84
    1,2-dichloroethane 1052.51
    n-hexanol 307.33
    2-methoxyethanol 783.97
    isobutyl acetate 159.55
    tetrachloromethane 427.36
    n-pentyl acetate 126.76
    transcutol 787.98
    n-heptanol 130.25
    ethylbenzene 141.73
    MIBK 139.95
    2-propoxyethanol 405.95
    tert-butanol 638.53
    MTBE 378.69
    2-butoxyethanol 225.38
    propionic acid 526.59
    o-xylene 174.79
    formic acid 284.22
    diethyl ether 567.69
    m-xylene 155.12
    p-xylene 182.42
    chlorobenzene 402.99
    dimethyl carbonate 132.96
    n-octane 24.37
    formamide 353.73
    cyclopentanone 391.54
    2-pentanone 240.52
    anisole 280.39
    cyclopentyl methyl ether 334.65
    gamma-butyrolactone 567.91
    1-methoxy-2-propanol 442.72
    pyridine 806.01
    3-pentanone 231.96
    furfural 628.95
    n-dodecane 19.11
    diethylene glycol 362.06
    diisopropyl ether 108.11
    tert-amyl alcohol 427.18
    acetylacetone 247.48
    n-hexadecane 21.23
    acetophenone 224.13
    methyl propionate 329.96
    isopentyl acetate 197.76
    trichloroethylene 1852.02
    n-nonanol 99.79
    cyclohexanol 445.97
    benzyl alcohol 261.51
    2-ethylhexanol 173.9
    isooctanol 97.89
    dipropyl ether 241.08
    1,2-dichlorobenzene 343.55
    ethyl lactate 149.77
    propylene carbonate 375.92
    n-methylformamide 324.67
    2-pentanol 273.61
    n-pentane 77.91
    1-propoxy-2-propanol 264.04
    1-methoxy-2-propyl acetate 203.03
    2-(2-methoxypropoxy) propanol 180.75
    mesitylene 98.62
    ε-caprolactone 453.61
    p-cymene 87.1
    epichlorohydrin 789.98
    1,1,1-trichloroethane 1047.22
    2-aminoethanol 414.17
    morpholine-4-carbaldehyde 498.38
    sulfolane 500.54
    2,2,4-trimethylpentane 37.22
    2-methyltetrahydrofuran 568.84
    n-hexyl acetate 169.01
    isooctane 24.02
    2-(2-butoxyethoxy)ethanol 246.88
    sec-butyl acetate 164.27
    tert-butyl acetate 202.89
    decalin 59.47
    glycerin 330.79
    diglyme 529.92
    acrylic acid 453.8
    isopropyl myristate 76.2
    n-butyric acid 588.63
    acetyl acetate 317.1
    di(2-ethylhexyl) phthalate 79.83
    ethyl propionate 231.14
    nitromethane 803.23
    1,2-diethoxyethane 301.45
    benzonitrile 301.41
    trioctyl phosphate 56.46
    1-bromopropane 612.23
    gamma-valerolactone 547.15
    n-decanol 73.99
    triethyl phosphate 122.19
    4-methyl-2-pentanol 123.21
    propionitrile 502.13
    vinylene carbonate 416.78
    1,1,2-trichlorotrifluoroethane 726.93
    DMS 159.26
    cumene 95.38
    2-octanol 77.5
    2-hexanone 197.54
    octyl acetate 93.1
    limonene 133.55
    1,2-dimethoxyethane 681.24
    ethyl orthosilicate 123.34
    tributyl phosphate 71.37
    diacetone alcohol 217.39
    N,N-dimethylaniline 180.66
    acrylonitrile 543.7
    aniline 405.69
    1,3-propanediol 490.37
    bromobenzene 427.33
    dibromomethane 1487.76
    1,1,2,2-tetrachloroethane 1520.51
    2-methyl-cyclohexyl acetate 162.31
    tetrabutyl urea 86.7
    diisobutyl methanol 101.95
    2-phenylethanol 195.77
    styrene 193.99
    dioctyl adipate 115.67
    dimethyl sulfate 188.42
    ethyl butyrate 230.71
    methyl lactate 175.34
    butyl lactate 112.87
    diethyl carbonate 185.84
    propanediol butyl ether 158.75
    triethyl orthoformate 173.7
    p-tert-butyltoluene 84.02
    methyl 4-tert-butylbenzoate 169.46
    morpholine 1281.51
    tert-butylamine 451.22
    n-dodecanol 60.51
    dimethoxymethane 338.28
    ethylene carbonate 360.31
    cyrene 197.29
    2-ethoxyethyl acetate 183.42
    2-ethylhexyl acetate 156.58
    1,2,4-trichlorobenzene 401.43
    4-methylpyridine 543.57
    dibutyl ether 155.48
    2,6-dimethyl-4-heptanol 101.95
    DEF 373.47
    dimethyl isosorbide 276.56
    tetrachloroethylene 1029.14
    eugenol 178.78
    triacetin 195.05
    span 80 166.95
    1,4-butanediol 212.33
    1,1-dichloroethane 1134.99
    2-methyl-1-pentanol 231.96
    methyl formate 276.87
    2-methyl-1-butanol 342.8
    n-decane 30.5
    butyronitrile 477.35
    3,7-dimethyl-1-octanol 103.8
    1-chlorooctane 99.15
    1-chlorotetradecane 42.86
    n-nonane 30.91
    undecane 23.09
    tert-butylcyclohexane 49.27
    cyclooctane 52.95
    cyclopentanol 364.15
    tetrahydropyran 967.77
    tert-amyl methyl ether 252.38
    2,5,8-trioxanonane 346.21
    1-hexene 197.05
    2-isopropoxyethanol 322.94
    2,2,2-trifluoroethanol 308.64
    methyl butyrate 323.53

    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