Phenylacetaldehyde glyceryl acetal

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  • Identifiers

    CAS number
    5694-72-4

    Molecular formula
    C11H14O3

    SMILES
    C1C(OC(O1)CC2=CC=CC=C2)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 83.13%
    Rose 74.95%
    Sweet 73.62%
    Honey 61.5%
    Green 53.76%
    Hyacinth 51.09%
    Fresh 33.44%
    Balsamic 32.63%
    Powdery 31.24%
    Waxy 30.25%

     

    Flavor
    Sweet 65.29%
    Bitter 58.95%
    Floral 49.84%
    Green 41.93%
    Hyacinth 29.85%
    Rose 29.25%
    Earthy 27.99%
    Honey 27.17%
    Oily 26.81%
    Metallic 25.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.01 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    358°C

    Flash point

    • 148.31 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Phenylacetaldehyde glyceryl acetal
    • (2-benzyl-1,3-dioxolan-4-yl)methanol
    • 5694-72-4
    • 29895-73-6
    • FEMA 2877
    • 1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-
    • 2-Benzyl-4-hydroxymethyl-1,3-dioxolane
    • 2-Benzyl-4-methanol-1,3-dioxane
    • 2-Benzyl-1,3-dioxolan-4-ylmethanol
    • 2-Benzyl-4-hydroxymethyl-1,3-dioxane
    • FEMA No. 2877
    • 4-Hydroxymethyl-2-benzyl-1,3-dioxolane
    • 4-(Hydroxymethyl)-2-benzyl-1,3-dioxolane
    • 1,3-DIOXOLANE-4-METHANOL, 2-BENZYL-
    • 2-Benzyl-5-hydroxymethyl-1,3-dioxolane
    • BD92587FZX
    • Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol
    • 2-(Phenylmethyl)-1,3-Dioxolane-4-methanol
    • 1,2-hyacinth acetal
    • EINECS 227-164-8
    • UNII-O83PGM07WT
    • UNII-BD92587FZX
    • 1,3-Dioxolane, 2-benzyl-4-hydroxymethyl-
    • 5-Hydroxy-2-benzyl-1,3-dioxan
    • EINECS 249-934-2
    • 2-Benzyl-1,3-dioxolane-4-methanol
    • HYACINTH ACETALS
    • 5-Hydroxymethyl-2-benzyl-1,3-dioxolane
    • 1,3-Dioxolane-4-methanol,2-(phenylmethyl)-
    • Benzeneacetaldehyde, cyclic acetal with glycerol
    • O83PGM07WT
    • Acetaldehyde, phenyl-, cyclic acetal with glycerol
    • SCHEMBL216883
    • Benzeneacetaldehyde 1,2,3-propanetriol cyclic acetal
    • CHEBI:173951
    • ZPENOSKWEKGDCX-UHFFFAOYSA-N
    • DTXSID201014563
    • AKOS006272753
    • DB-279063
    • FEMA NO. 2877, 1,3-DIOXOLANE-
    • NS00013135
    • Q27274610
    • (+/-)-4-HYDROXYMETHYL-2-BENZYL-1,3-DIOXOLANE

  • Applications

    Phenylacetaldehyde glyceryl acetal (CAS 5694-72-4) is used in fragrance chemistry as an odorant precursor and as a masked aldehyde that can provide controlled-release notes, making it valuable in perfumery and cosmetics; it also serves as a building block for aroma compound synthesis in industrial manufacturing and may be employed as a fragrance component in household cleaning products; in coatings and inks, it can be incorporated as a scent additive to impart or stabilize fragrance in decorative finishes and printed materials; as an intermediate, it supports the synthesis of other fragrance ingredients, with the exact applications governed by formulation goals and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 571.17
    methanol 1059.88
    isopropanol 265.46
    water 27.3
    ethyl acetate 225.84
    n-propanol 341.25
    acetone 172.04
    n-butanol 241.06
    acetonitrile 276.81
    DMF 264.75
    toluene 37.41
    isobutanol 153.36
    1,4-dioxane 601.09
    methyl acetate 180.03
    THF 300.12
    2-butanone 119.22
    n-pentanol 146.29
    sec-butanol 144.22
    n-hexane 2.03
    ethylene glycol 521.26
    NMP 88.73
    cyclohexane 8.06
    DMSO 837.58
    n-butyl acetate 59.32
    n-octanol 37.11
    chloroform 415.85
    n-propyl acetate 83.62
    acetic acid 677.69
    dichloromethane 366.4
    cyclohexanone 132.41
    propylene glycol 454.25
    isopropyl acetate 80.69
    DMAc 289.16
    2-ethoxyethanol 498.6
    isopentanol 156.38
    n-heptane 3.9
    ethyl formate 148.68
    1,2-dichloroethane 217.67
    n-hexanol 90.48
    2-methoxyethanol 850.93
    isobutyl acetate 57.71
    tetrachloromethane 27.25
    n-pentyl acetate 29.25
    transcutol 801.88
    n-heptanol 39.65
    ethylbenzene 18.45
    MIBK 71.3
    2-propoxyethanol 263.21
    tert-butanol 278.82
    MTBE 85.96
    2-butoxyethanol 118.31
    propionic acid 274.88
    o-xylene 30.21
    formic acid 573.9
    diethyl ether 126.54
    m-xylene 33.09
    p-xylene 25.48
    chlorobenzene 64.3
    dimethyl carbonate 84.84
    n-octane 1.91
    formamide 633.08
    cyclopentanone 133.3
    2-pentanone 95.94
    anisole 85.37
    cyclopentyl methyl ether 92.56
    gamma-butyrolactone 212.1
    1-methoxy-2-propanol 438.73
    pyridine 217.6
    3-pentanone 72.59
    furfural 266.91
    n-dodecane 2.59
    diethylene glycol 417.55
    diisopropyl ether 21.61
    tert-amyl alcohol 127.97
    acetylacetone 147.39
    n-hexadecane 2.83
    acetophenone 84.11
    methyl propionate 142.99
    isopentyl acetate 56.62
    trichloroethylene 374.87
    n-nonanol 36.13
    cyclohexanol 122.16
    benzyl alcohol 109.01
    2-ethylhexanol 43.73
    isooctanol 32.26
    dipropyl ether 47.87
    1,2-dichlorobenzene 63.15
    ethyl lactate 87.28
    propylene carbonate 130.85
    n-methylformamide 278.59
    2-pentanol 102.75
    n-pentane 2.83
    1-propoxy-2-propanol 140.18
    1-methoxy-2-propyl acetate 97.33
    2-(2-methoxypropoxy) propanol 132.43
    mesitylene 21.73
    ε-caprolactone 128.82
    p-cymene 17.71
    epichlorohydrin 305.01
    1,1,1-trichloroethane 106.7
    2-aminoethanol 607.88
    morpholine-4-carbaldehyde 281.6
    sulfolane 201.76
    2,2,4-trimethylpentane 3.46
    2-methyltetrahydrofuran 142.4
    n-hexyl acetate 48.48
    isooctane 2.93
    2-(2-butoxyethoxy)ethanol 187.54
    sec-butyl acetate 50.74
    tert-butyl acetate 73.47
    decalin 4.87
    glycerin 579.01
    diglyme 349.65
    acrylic acid 291.25
    isopropyl myristate 25.17
    n-butyric acid 304.65
    acetyl acetate 121.67
    di(2-ethylhexyl) phthalate 35.51
    ethyl propionate 73.84
    nitromethane 695.68
    1,2-diethoxyethane 123.22
    benzonitrile 85.71
    trioctyl phosphate 22.5
    1-bromopropane 62.76
    gamma-valerolactone 248.86
    n-decanol 28.3
    triethyl phosphate 41.85
    4-methyl-2-pentanol 54.51
    propionitrile 153.89
    vinylene carbonate 149.78
    1,1,2-trichlorotrifluoroethane 364.22
    DMS 64.67
    cumene 16.69
    2-octanol 19.84
    2-hexanone 61.84
    octyl acetate 30.26
    limonene 23.47
    1,2-dimethoxyethane 412.11
    ethyl orthosilicate 39.41
    tributyl phosphate 29.86
    diacetone alcohol 129.3
    N,N-dimethylaniline 55.36
    acrylonitrile 221.74
    aniline 109.61
    1,3-propanediol 632.57
    bromobenzene 53.82
    dibromomethane 164.84
    1,1,2,2-tetrachloroethane 290.25
    2-methyl-cyclohexyl acetate 52.57
    tetrabutyl urea 38.16
    diisobutyl methanol 27.39
    2-phenylethanol 74.62
    styrene 26.31
    dioctyl adipate 47.18
    dimethyl sulfate 123.16
    ethyl butyrate 58.71
    methyl lactate 140.58
    butyl lactate 48.87
    diethyl carbonate 53.91
    propanediol butyl ether 132.28
    triethyl orthoformate 53.53
    p-tert-butyltoluene 17.39
    methyl 4-tert-butylbenzoate 70.95
    morpholine 600.96
    tert-butylamine 102.86
    n-dodecanol 23.03
    dimethoxymethane 277.62
    ethylene carbonate 128.54
    cyrene 110.14
    2-ethoxyethyl acetate 67.55
    2-ethylhexyl acetate 40.67
    1,2,4-trichlorobenzene 79.79
    4-methylpyridine 115.71
    dibutyl ether 34.31
    2,6-dimethyl-4-heptanol 27.39
    DEF 137.3
    dimethyl isosorbide 150.0
    tetrachloroethylene 191.41
    eugenol 85.25
    triacetin 86.22
    span 80 91.14
    1,4-butanediol 236.84
    1,1-dichloroethane 143.78
    2-methyl-1-pentanol 92.78
    methyl formate 195.41
    2-methyl-1-butanol 116.54
    n-decane 3.52
    butyronitrile 133.97
    3,7-dimethyl-1-octanol 39.34
    1-chlorooctane 15.25
    1-chlorotetradecane 8.3
    n-nonane 2.92
    undecane 2.89
    tert-butylcyclohexane 4.29
    cyclooctane 3.37
    cyclopentanol 113.38
    tetrahydropyran 231.74
    tert-amyl methyl ether 56.68
    2,5,8-trioxanonane 259.68
    1-hexene 12.76
    2-isopropoxyethanol 231.57
    2,2,2-trifluoroethanol 251.86
    methyl butyrate 91.52

    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