Acetaldehyde, 2-(2-phenylethoxy)-

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  • Identifiers

    CAS number
    41847-88-5

    Molecular formula
    C10H12O2

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

  • Odor profile

    Fragrance
    Green 80.88%
    Floral 59.36%
    Rose 59.27%
    Hyacinth 55.08%
    Fresh 48.11%
    Honey 46.76%
    Leafy 42.85%
    Sweet 42.79%
    Earthy 34.61%
    Balsamic 33.88%

     

    Flavor
    Floral 62.17%
    Green 55.61%
    Hyacinth 55.52%
    Bitter 54.27%
    Rose 52.17%
    Sweet 50.99%
    Honey 48.29%
    Balsam 42.19%
    Spicy 37.92%
    Chocolate 35.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.45 (weak acid)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 122.65 ˚C est.

  • Synonyms

    • (2-Phenylethoxy)acetaldehyde
    • 41847-88-5
    • 2-(2-phenylethoxy)acetaldehyde
    • Phenylethyloxy acetaldehyde
    • Acetaldehyde, (2-phenylethoxy)-
    • Phenylethyl oxy-acetaldehyde
    • Acetaldehyde, 2-(2-phenylethoxy)-
    • PHENYLETHYL OXYACETALDEHYDE
    • EINECS 255-565-8
    • AI3-36127
    • DTXSID1068352
    • [2-phenylethoxy]acetaldehyde
    • 2-phenethyloxyacetaldehyde
    • 2-phenylethoxyacetaldehyde
    • PHENYLETHYLOXYACETALDEHYDE
    • phenethyl oxyacetaldehyde
    • BJB7EZ2PXD
    • phenylethoxy-acetoaldehyde
    • SCHEMBL2322253
    • DTXCID4039994
    • NS00013140
    • 255-565-8

  • Applications

    Acetaldehyde, 2-(2-phenylethoxy)- (CAS 41847-88-5) is used as an aroma-chemical intermediate and fragrance component in fragrance and perfumery; in perfumes and fragrance formulations it may serve as a fragrance ingredient or fixative. In cosmetics and personal care, it may be used as a fragrance additive. In household and cleaning products, it can contribute to fragrance notes and overall scent appeal. In industrial manufacturing, it is typically used as an intermediate in the synthesis of aroma chemicals and specialty materials, or as a precursor to other fragrance-related derivatives; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 432.58
    methanol 668.74
    isopropanol 170.83
    water 1.79
    ethyl acetate 433.03
    n-propanol 257.22
    acetone 362.64
    n-butanol 166.69
    acetonitrile 437.3
    DMF 409.83
    toluene 91.97
    isobutanol 123.29
    1,4-dioxane 787.5
    methyl acetate 375.32
    THF 381.2
    2-butanone 287.28
    n-pentanol 130.38
    sec-butanol 122.71
    n-hexane 6.46
    ethylene glycol 257.77
    NMP 187.8
    cyclohexane 19.75
    DMSO 1379.49
    n-butyl acetate 147.4
    n-octanol 26.32
    chloroform 738.94
    n-propyl acetate 185.45
    acetic acid 591.16
    dichloromethane 779.37
    cyclohexanone 296.75
    propylene glycol 227.42
    isopropyl acetate 127.2
    DMAc 329.08
    2-ethoxyethanol 443.18
    isopentanol 112.91
    n-heptane 8.41
    ethyl formate 208.66
    1,2-dichloroethane 669.51
    n-hexanol 109.22
    2-methoxyethanol 699.49
    isobutyl acetate 91.5
    tetrachloromethane 57.17
    n-pentyl acetate 44.65
    transcutol 1321.56
    n-heptanol 30.21
    ethylbenzene 43.0
    MIBK 92.09
    2-propoxyethanol 278.7
    tert-butanol 201.28
    MTBE 110.29
    2-butoxyethanol 105.82
    propionic acid 345.71
    o-xylene 59.16
    formic acid 354.34
    diethyl ether 224.18
    m-xylene 53.86
    p-xylene 49.12
    chlorobenzene 153.62
    dimethyl carbonate 108.07
    n-octane 2.59
    formamide 542.6
    cyclopentanone 288.4
    2-pentanone 169.89
    anisole 145.57
    cyclopentyl methyl ether 157.86
    gamma-butyrolactone 427.17
    1-methoxy-2-propanol 325.1
    pyridine 495.58
    3-pentanone 163.25
    furfural 450.02
    n-dodecane 2.63
    diethylene glycol 379.03
    diisopropyl ether 32.05
    tert-amyl alcohol 119.81
    acetylacetone 256.33
    n-hexadecane 2.98
    acetophenone 127.21
    methyl propionate 279.0
    isopentyl acetate 113.45
    trichloroethylene 1033.51
    n-nonanol 26.5
    cyclohexanol 131.77
    benzyl alcohol 137.82
    2-ethylhexanol 58.19
    isooctanol 26.59
    dipropyl ether 98.85
    1,2-dichlorobenzene 142.3
    ethyl lactate 101.46
    propylene carbonate 213.3
    n-methylformamide 386.1
    2-pentanol 81.4
    n-pentane 5.91
    1-propoxy-2-propanol 168.19
    1-methoxy-2-propyl acetate 176.5
    2-(2-methoxypropoxy) propanol 151.59
    mesitylene 33.96
    ε-caprolactone 257.93
    p-cymene 30.56
    epichlorohydrin 639.46
    1,1,1-trichloroethane 299.67
    2-aminoethanol 347.02
    morpholine-4-carbaldehyde 410.99
    sulfolane 456.59
    2,2,4-trimethylpentane 5.35
    2-methyltetrahydrofuran 249.01
    n-hexyl acetate 64.64
    isooctane 4.11
    2-(2-butoxyethoxy)ethanol 209.84
    sec-butyl acetate 91.67
    tert-butyl acetate 122.27
    decalin 10.67
    glycerin 349.38
    diglyme 445.86
    acrylic acid 320.67
    isopropyl myristate 30.86
    n-butyric acid 304.28
    acetyl acetate 206.06
    di(2-ethylhexyl) phthalate 38.29
    ethyl propionate 155.68
    nitromethane 1073.13
    1,2-diethoxyethane 255.11
    benzonitrile 144.24
    trioctyl phosphate 23.73
    1-bromopropane 194.63
    gamma-valerolactone 461.26
    n-decanol 21.19
    triethyl phosphate 67.51
    4-methyl-2-pentanol 43.52
    propionitrile 249.33
    vinylene carbonate 228.05
    1,1,2-trichlorotrifluoroethane 512.3
    DMS 121.39
    cumene 30.39
    2-octanol 15.37
    2-hexanone 129.12
    octyl acetate 36.2
    limonene 44.67
    1,2-dimethoxyethane 517.45
    ethyl orthosilicate 62.99
    tributyl phosphate 37.59
    diacetone alcohol 155.92
    N,N-dimethylaniline 80.6
    acrylonitrile 377.14
    aniline 177.71
    1,3-propanediol 361.56
    bromobenzene 146.98
    dibromomethane 418.3
    1,1,2,2-tetrachloroethane 757.3
    2-methyl-cyclohexyl acetate 83.45
    tetrabutyl urea 49.59
    diisobutyl methanol 36.41
    2-phenylethanol 105.57
    styrene 66.32
    dioctyl adipate 65.05
    dimethyl sulfate 187.62
    ethyl butyrate 130.57
    methyl lactate 140.26
    butyl lactate 60.17
    diethyl carbonate 107.43
    propanediol butyl ether 101.0
    triethyl orthoformate 91.25
    p-tert-butyltoluene 28.12
    methyl 4-tert-butylbenzoate 84.79
    morpholine 782.19
    tert-butylamine 91.2
    n-dodecanol 17.72
    dimethoxymethane 306.53
    ethylene carbonate 189.5
    cyrene 122.32
    2-ethoxyethyl acetate 119.32
    2-ethylhexyl acetate 83.59
    1,2,4-trichlorobenzene 172.66
    4-methylpyridine 239.25
    dibutyl ether 55.28
    2,6-dimethyl-4-heptanol 36.41
    DEF 255.27
    dimethyl isosorbide 210.21
    tetrachloroethylene 469.38
    eugenol 95.5
    triacetin 123.44
    span 80 98.12
    1,4-butanediol 144.51
    1,1-dichloroethane 369.04
    2-methyl-1-pentanol 92.34
    methyl formate 262.13
    2-methyl-1-butanol 101.27
    n-decane 3.95
    butyronitrile 166.95
    3,7-dimethyl-1-octanol 39.4
    1-chlorooctane 21.14
    1-chlorotetradecane 9.75
    n-nonane 3.67
    undecane 3.07
    tert-butylcyclohexane 8.93
    cyclooctane 6.12
    cyclopentanol 117.3
    tetrahydropyran 408.79
    tert-amyl methyl ether 79.86
    2,5,8-trioxanonane 306.57
    1-hexene 41.27
    2-isopropoxyethanol 219.17
    2,2,2-trifluoroethanol 181.85
    methyl butyrate 206.49

    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