(Phenylmethoxy)acetaldehyde

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  • Identifiers

    CAS number
    60656-87-3

    Molecular formula
    C9H10O2

    SMILES
    C1=CC=C(C=C1)COCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 68.88%
    Fruity 57.91%
    Sweet 54.72%
    Floral 48.33%
    Almond 43.47%
    Fresh 42.86%
    Hyacinth 40.64%
    Rose 39.65%
    Spicy 33.18%
    Honey 32.4%

     

    Flavor
    Sweet 67.98%
    Fruity 55.32%
    Floral 54.84%
    Almond 46.63%
    Spicy 39.63%
    Chocolate 39.49%
    Rose 38.88%
    Balsam 36.38%
    Cherry 34.39%
    Honey 33.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    5.52 (weak acid)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point

    • 110.42 ˚C est.

  • Synonyms

    • 60656-87-3
    • (benzyloxy)acetaldehyde
    • (Phenylmethoxy)acetaldehyde
    • Acetaldehyde, (phenylmethoxy)-
    • EINECS 262-349-7
    • DTXSID30209468
    • RefChem:406834
    • DTXCID50131959
    • 262-349-7
    • 2-(benzyloxy)acetaldehyde
    • Benzyloxyacetaldehyde
    • 2-phenylmethoxyacetaldehyde
    • 2-(phenyl-methoxy)-acetaldehyde
    • 2-benzyloxyacetaldehyde
    • MFCD00191779
    • (Benzyloxy)ethanal
    • benzyloxy acetaldehyde
    • 2-(Benzyloxy)ethanal
    • Acetaldehyde,2-(phenylmethoxy)-
    • Benzyloxy-acetaldehyde
    • 2-phenylmethoxyethanal
    • 2-Benzyloxy acetaldehyde
    • 2-(phenylmethoxy)ethanal
    • alpha-benzyloxyacetaldehyde
    • 2-(benzyloxy)-acetaldehyde
    • Acetaldehyde, (benzyloxy)-
    • Benzyloxyacetaldehyde, 97%
    • CT739FGS9K
    • SCHEMBL76044
    • alpha-(Benzyloxy)acetaldehyde
    • 2-(Phenylmethoxy)acetaldehyde
    • SCHEMBL394787
    • CHEMBL4461059
    • SCHEMBL27517563
    • Acetaldehyde, 2-(phenylmethoxy)-
    • AKOS009156988
    • 95% (stabilized with 0.5%Catechol)
    • CS-W007819
    • FB11544
    • AS-18441
    • DB-008538
    • NS00034422
    • ST50824228
    • EN300-85857
    • 2-(Benzyloxy)acetaldehyde (stab. with Catechol)
    • (Benzyloxy)acetaldehyde (stabilized with Catechol)
    • A832831
    • F209052
    • Q63409871
    • Z906195396
    • 2-(Benzyloxy)acetaldehyde, stab. with 0.5 % hydroquinone
    • InChI=1/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H
    • 60656-87-3

  • Applications

    For (Phenylmethoxy)acetaldehyde (CAS 60656-87-3), practical applications include serving as an organic synthesis building block in fragrance and flavor chemistry, enabling introduction of the benzyloxy and aldehyde functionalities into aroma compounds. It is commonly evaluated as a synthetic intermediate in pharmaceutical R&D to access more complex aromatic structures. In cosmetics and personal care, it may function as a specialty aroma intermediate within formulation constraints. In polymers and coatings, it can act as a reactive aldehyde precursor for the synthesis of functionalized monomers or resins, supporting crosslinking or functionalization strategies. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 509.0
    methanol 672.17
    isopropanol 255.7
    water 2.54
    ethyl acetate 636.07
    n-propanol 342.73
    acetone 647.69
    n-butanol 230.61
    acetonitrile 587.65
    DMF 647.92
    toluene 105.08
    isobutanol 202.53
    1,4-dioxane 690.86
    methyl acetate 553.15
    THF 555.26
    2-butanone 494.4
    n-pentanol 162.7
    sec-butanol 207.41
    n-hexane 10.8
    ethylene glycol 245.78
    NMP 440.83
    cyclohexane 30.68
    DMSO 1830.2
    n-butyl acetate 293.57
    n-octanol 53.86
    chloroform 819.79
    n-propyl acetate 332.93
    acetic acid 876.09
    dichloromethane 1101.81
    cyclohexanone 525.37
    propylene glycol 208.82
    isopropyl acetate 190.14
    DMAc 435.1
    2-ethoxyethanol 452.06
    isopentanol 183.01
    n-heptane 16.6
    ethyl formate 322.48
    1,2-dichloroethane 907.45
    n-hexanol 167.13
    2-methoxyethanol 750.09
    isobutyl acetate 155.1
    tetrachloromethane 73.54
    n-pentyl acetate 90.62
    transcutol 1763.88
    n-heptanol 53.65
    ethylbenzene 65.39
    MIBK 158.2
    2-propoxyethanol 347.77
    tert-butanol 299.62
    MTBE 168.1
    2-butoxyethanol 163.41
    propionic acid 534.94
    o-xylene 80.8
    formic acid 396.58
    diethyl ether 276.55
    m-xylene 72.66
    p-xylene 78.74
    chlorobenzene 222.83
    dimethyl carbonate 167.7
    n-octane 4.79
    formamide 733.93
    cyclopentanone 595.16
    2-pentanone 316.19
    anisole 215.53
    cyclopentyl methyl ether 272.14
    gamma-butyrolactone 822.6
    1-methoxy-2-propanol 381.25
    pyridine 577.54
    3-pentanone 261.78
    furfural 690.06
    n-dodecane 4.47
    diethylene glycol 362.15
    diisopropyl ether 50.72
    tert-amyl alcohol 204.34
    acetylacetone 386.72
    n-hexadecane 5.13
    acetophenone 204.7
    methyl propionate 435.65
    isopentyl acetate 212.27
    trichloroethylene 1495.4
    n-nonanol 49.33
    cyclohexanol 216.12
    benzyl alcohol 176.86
    2-ethylhexanol 105.46
    isooctanol 47.63
    dipropyl ether 163.2
    1,2-dichlorobenzene 205.83
    ethyl lactate 149.46
    propylene carbonate 412.4
    n-methylformamide 595.95
    2-pentanol 140.63
    n-pentane 10.42
    1-propoxy-2-propanol 241.98
    1-methoxy-2-propyl acetate 259.19
    2-(2-methoxypropoxy) propanol 204.15
    mesitylene 47.65
    ε-caprolactone 444.96
    p-cymene 53.23
    epichlorohydrin 989.8
    1,1,1-trichloroethane 411.03
    2-aminoethanol 354.35
    morpholine-4-carbaldehyde 565.95
    sulfolane 897.49
    2,2,4-trimethylpentane 9.29
    2-methyltetrahydrofuran 438.62
    n-hexyl acetate 134.41
    isooctane 7.23
    2-(2-butoxyethoxy)ethanol 298.67
    sec-butyl acetate 161.56
    tert-butyl acetate 186.17
    decalin 16.67
    glycerin 321.75
    diglyme 640.1
    acrylic acid 483.9
    isopropyl myristate 54.84
    n-butyric acid 497.04
    acetyl acetate 284.44
    di(2-ethylhexyl) phthalate 58.62
    ethyl propionate 273.74
    nitromethane 1591.33
    1,2-diethoxyethane 328.0
    benzonitrile 216.89
    trioctyl phosphate 38.74
    1-bromopropane 257.34
    gamma-valerolactone 693.88
    n-decanol 38.32
    triethyl phosphate 102.56
    4-methyl-2-pentanol 76.51
    propionitrile 350.91
    vinylene carbonate 377.89
    1,1,2-trichlorotrifluoroethane 690.07
    DMS 190.49
    cumene 49.21
    2-octanol 30.09
    2-hexanone 239.18
    octyl acetate 67.52
    limonene 79.75
    1,2-dimethoxyethane 609.39
    ethyl orthosilicate 96.05
    tributyl phosphate 62.36
    diacetone alcohol 257.86
    N,N-dimethylaniline 119.95
    acrylonitrile 525.26
    aniline 227.47
    1,3-propanediol 388.81
    bromobenzene 208.59
    dibromomethane 588.02
    1,1,2,2-tetrachloroethane 1027.41
    2-methyl-cyclohexyl acetate 148.6
    tetrabutyl urea 80.92
    diisobutyl methanol 62.06
    2-phenylethanol 149.65
    styrene 95.43
    dioctyl adipate 109.35
    dimethyl sulfate 282.17
    ethyl butyrate 249.93
    methyl lactate 186.79
    butyl lactate 106.91
    diethyl carbonate 181.32
    propanediol butyl ether 167.35
    triethyl orthoformate 154.28
    p-tert-butyltoluene 46.4
    methyl 4-tert-butylbenzoate 142.05
    morpholine 803.1
    tert-butylamine 148.73
    n-dodecanol 30.49
    dimethoxymethane 378.65
    ethylene carbonate 307.74
    cyrene 177.02
    2-ethoxyethyl acetate 180.41
    2-ethylhexyl acetate 156.36
    1,2,4-trichlorobenzene 255.7
    4-methylpyridine 346.89
    dibutyl ether 101.8
    2,6-dimethyl-4-heptanol 62.06
    DEF 411.86
    dimethyl isosorbide 315.53
    tetrachloroethylene 649.57
    eugenol 145.24
    triacetin 203.44
    span 80 141.65
    1,4-butanediol 148.73
    1,1-dichloroethane 536.04
    2-methyl-1-pentanol 135.63
    methyl formate 430.01
    2-methyl-1-butanol 177.12
    n-decane 7.17
    butyronitrile 257.32
    3,7-dimethyl-1-octanol 72.89
    1-chlorooctane 42.27
    1-chlorotetradecane 16.23
    n-nonane 6.94
    undecane 5.44
    tert-butylcyclohexane 14.12
    cyclooctane 10.22
    cyclopentanol 227.41
    tetrahydropyran 504.24
    tert-amyl methyl ether 130.2
    2,5,8-trioxanonane 404.22
    1-hexene 61.9
    2-isopropoxyethanol 264.98
    2,2,2-trifluoroethanol 291.37
    methyl butyrate 368.96

    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