Phenoxyacetaldehyde

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  • Identifiers

    CAS number
    2120-70-9

    Molecular formula
    C8H8O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 76.63%
    Green 74.94%
    Sweet 64.55%
    Fresh 59.49%
    Hyacinth 48.82%
    Woody 44.96%
    Honey 43.85%
    Rose 41.84%
    Balsamic 40.5%
    Cortex 40.5%

     

    Flavor
    Sweet 67.91%
    Floral 56.67%
    Balsam 50.48%
    Almond 45.22%
    Bitter 44.13%
    Spicy 40.36%
    Vanilla 39.27%
    Cherry 38.29%
    Cinnamon 37.79%
    Hyacinth 37.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.1 (neutral)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 96.97 ˚C est.

  • Synonyms

    • 2-phenoxyacetaldehyde
    • 2120-70-9
    • Phenoxyacetaldehyde
    • Cortex aldehyde
    • Acetaldehyde, phenoxy-
    • Acetaldehyde, 2-phenoxy-
    • EINECS 218-329-5
    • NSC 49355
    • BRN 0970857
    • DTXSID1051858
    • 3-06-00-00588 (Beilstein Handbook Reference)
    • NSC-49355
    • phenoxy acetaldehyde
    • NSC49355
    • MFCD00134414
    • CORTEX ALDEHYDE 50 BENZYL ALCOHOL
    • NDR6B5CSP6
    • WLN: VH1OR
    • SCHEMBL50487
    • DTXCID4030415
    • phenoxyacetaldehyde 50% in peomosa
    • AKOS000111513
    • DS-17598
    • FP165315
    • DB-008668
    • CS-0498398
    • NS00013126
    • EN300-82753
    • Z854102570
    • 218-329-5

  • Applications

    Phenoxyacetaldehyde is primarily used as a synthetic building block in fragrance and flavor chemistry, enabling the synthesis of phenoxy-containing aroma compounds and related esters. It also serves as an aldehyde intermediate in industrial manufacturing, particularly in polymer and coating chemistries, where it can participate in condensation and imine-forming reactions with amines. In cosmetics and personal care, it may function as a fragrance ingredient within formulations, subject to regulatory limits. Additionally, it can act as a reactive aldehyde building block for the production of specialty aroma materials and other additives used in coatings, inks, and adhesives, and may be evaluated for further synthesis under local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 826.13
    methanol 1224.18
    isopropanol 460.38
    water 2.98
    ethyl acetate 1740.39
    n-propanol 471.19
    acetone 3962.44
    n-butanol 307.54
    acetonitrile 2827.64
    DMF 2556.02
    toluene 283.87
    isobutanol 274.58
    1,4-dioxane 2112.37
    methyl acetate 2381.41
    THF 2020.06
    2-butanone 2058.67
    n-pentanol 232.78
    sec-butanol 339.7
    n-hexane 32.33
    ethylene glycol 317.84
    NMP 2021.23
    cyclohexane 75.16
    DMSO 9193.72
    n-butyl acetate 847.21
    n-octanol 113.04
    chloroform 1611.26
    n-propyl acetate 925.92
    acetic acid 1268.9
    dichloromethane 3304.82
    cyclohexanone 1683.63
    propylene glycol 229.53
    isopropyl acetate 475.77
    DMAc 1625.22
    2-ethoxyethanol 767.56
    isopentanol 238.94
    n-heptane 38.13
    ethyl formate 1020.99
    1,2-dichloroethane 2609.15
    n-hexanol 204.91
    2-methoxyethanol 1241.09
    isobutyl acetate 315.32
    tetrachloromethane 209.43
    n-pentyl acetate 254.48
    transcutol 3402.21
    n-heptanol 71.44
    ethylbenzene 159.25
    MIBK 340.64
    2-propoxyethanol 523.04
    tert-butanol 471.97
    MTBE 490.03
    2-butoxyethanol 223.19
    propionic acid 845.73
    o-xylene 193.1
    formic acid 579.82
    diethyl ether 832.77
    m-xylene 151.64
    p-xylene 207.06
    chlorobenzene 646.2
    dimethyl carbonate 493.72
    n-octane 11.21
    formamide 1807.07
    cyclopentanone 2399.48
    2-pentanone 998.61
    anisole 570.69
    cyclopentyl methyl ether 701.35
    gamma-butyrolactone 3090.56
    1-methoxy-2-propanol 582.59
    pyridine 1670.53
    3-pentanone 908.0
    furfural 2011.57
    n-dodecane 9.55
    diethylene glycol 491.73
    diisopropyl ether 130.01
    tert-amyl alcohol 356.95
    acetylacetone 1318.68
    n-hexadecane 11.38
    acetophenone 564.15
    methyl propionate 1234.43
    isopentyl acetate 493.78
    trichloroethylene 3737.41
    n-nonanol 91.52
    cyclohexanol 317.61
    benzyl alcohol 316.39
    2-ethylhexanol 147.53
    isooctanol 62.51
    dipropyl ether 326.2
    1,2-dichlorobenzene 540.44
    ethyl lactate 248.68
    propylene carbonate 1119.34
    n-methylformamide 1970.69
    2-pentanol 186.06
    n-pentane 27.0
    1-propoxy-2-propanol 332.56
    1-methoxy-2-propyl acetate 534.61
    2-(2-methoxypropoxy) propanol 341.4
    mesitylene 91.67
    ε-caprolactone 1304.46
    p-cymene 102.75
    epichlorohydrin 3282.59
    1,1,1-trichloroethane 1239.7
    2-aminoethanol 402.73
    morpholine-4-carbaldehyde 1698.58
    sulfolane 3269.81
    2,2,4-trimethylpentane 16.8
    2-methyltetrahydrofuran 1608.58
    n-hexyl acetate 406.23
    isooctane 11.08
    2-(2-butoxyethoxy)ethanol 519.6
    sec-butyl acetate 381.4
    tert-butyl acetate 411.13
    decalin 37.64
    glycerin 330.44
    diglyme 1336.72
    acrylic acid 851.2
    isopropyl myristate 126.37
    n-butyric acid 680.1
    acetyl acetate 799.81
    di(2-ethylhexyl) phthalate 109.05
    ethyl propionate 703.01
    nitromethane 5516.17
    1,2-diethoxyethane 850.22
    benzonitrile 656.02
    trioctyl phosphate 76.0
    1-bromopropane 771.94
    gamma-valerolactone 2206.64
    n-decanol 68.6
    triethyl phosphate 195.43
    4-methyl-2-pentanol 87.38
    propionitrile 1041.1
    vinylene carbonate 920.15
    1,1,2-trichlorotrifluoroethane 1198.24
    DMS 615.13
    cumene 94.43
    2-octanol 54.89
    2-hexanone 726.51
    octyl acetate 164.97
    limonene 161.9
    1,2-dimethoxyethane 1572.49
    ethyl orthosilicate 163.38
    tributyl phosphate 143.74
    diacetone alcohol 460.43
    N,N-dimethylaniline 270.89
    acrylonitrile 1612.35
    aniline 441.46
    1,3-propanediol 458.96
    bromobenzene 674.82
    dibromomethane 1695.71
    1,1,2,2-tetrachloroethane 2059.76
    2-methyl-cyclohexyl acetate 282.95
    tetrabutyl urea 190.49
    diisobutyl methanol 87.6
    2-phenylethanol 243.43
    styrene 254.66
    dioctyl adipate 233.85
    dimethyl sulfate 894.06
    ethyl butyrate 563.38
    methyl lactate 346.27
    butyl lactate 207.52
    diethyl carbonate 402.67
    propanediol butyl ether 286.9
    triethyl orthoformate 286.0
    p-tert-butyltoluene 83.8
    methyl 4-tert-butylbenzoate 260.02
    morpholine 1990.01
    tert-butylamine 227.22
    n-dodecanol 54.09
    dimethoxymethane 1057.89
    ethylene carbonate 761.76
    cyrene 323.19
    2-ethoxyethyl acetate 537.69
    2-ethylhexyl acetate 392.2
    1,2,4-trichlorobenzene 636.62
    4-methylpyridine 1154.42
    dibutyl ether 268.35
    2,6-dimethyl-4-heptanol 87.6
    DEF 1147.84
    dimethyl isosorbide 609.02
    tetrachloroethylene 1304.38
    eugenol 261.8
    triacetin 489.26
    span 80 227.86
    1,4-butanediol 205.62
    1,1-dichloroethane 1636.76
    2-methyl-1-pentanol 196.84
    methyl formate 1600.1
    2-methyl-1-butanol 240.34
    n-decane 16.4
    butyronitrile 645.74
    3,7-dimethyl-1-octanol 133.98
    1-chlorooctane 100.68
    1-chlorotetradecane 37.9
    n-nonane 17.06
    undecane 12.12
    tert-butylcyclohexane 28.74
    cyclooctane 22.22
    cyclopentanol 455.13
    tetrahydropyran 1365.49
    tert-amyl methyl ether 316.9
    2,5,8-trioxanonane 728.3
    1-hexene 154.35
    2-isopropoxyethanol 422.85
    2,2,2-trifluoroethanol 470.49
    methyl butyrate 998.14

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.045 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.24 %
Category 2
Products applied to the axillae
 0.014 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.24 %
Category 3
Products applied to the face/body using fingertips
 0.27 % Category 8
Products with significant anogenital exposure
 0.021 %
Category 4
Products related to fine fragrance
 0.25 % Category 9
Products with body and hand exposure, primarily rinse off
 0.49 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.064 % Category 10A
Household care products with mostly hand contact
 0.48 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.064 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 1.8 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.064 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.021 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.021 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.021 %
Category 6
Products with oral and lip exposure
 0.15 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction