Acetaldehyde phenethyl propyl acetal

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  • Identifiers

    CAS number
    7493-57-4

    Molecular formula
    C13H20O2

    SMILES
    CCCOC(C)OCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Green 94.3%
    Floral 75.28%
    Hyacinth 60.98%
    Leafy 58.37%
    Rose 51.11%
    Sweet 47.51%
    Fresh 46.58%
    Herbal 45.27%
    Earthy 43.85%
    Cortex 38.92%

     

    Flavor
    Green 81.78%
    Floral 65.27%
    Earthy 50.52%
    Bitter 47.46%
    Rose 46.55%
    Hyacinth 40.52%
    Fruity 34.12%
    Mushroom 33.6%
    Honey 30.33%
    Sweet 28.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.96 (neutral)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 79.00 to 81.00 °C. @ 0.75 mm Hg

    Flash point

    • 107.46 ˚C est.

    Solubility expt.

    • 201 mg/L @ 20 °C (exp)
    • Miscible in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • (2-(1-Propoxyethoxy)ethyl)benzene
    • 7493-57-4
    • Acetal R
    • Acetaldehyde phenethyl propyl acetal
    • Pepital
    • [2-(1-Propoxyethoxy)ethyl]benzene
    • 2-(1-propoxyethoxy)ethylbenzene
    • Acetaldehyde propyl phenylethyl acetal
    • Propyl phenethyl acetal
    • FEMA No. 2004
    • Acetaldehyde phenylethyl propyl acetal
    • Benzene, [2-(1-propoxyethoxy)ethyl]-
    • 1-Phenethoxy-1-propoxyethane
    • LEAFY ACETAL
    • ACETALDEHYDE, PHENETHYL PROPYL ACETAL
    • Benzene, (2-(1-propoxyethoxy)ethyl)-
    • EINECS 231-327-9
    • UNII-U811MB854I
    • U811MB854I
    • DTXSID2052493
    • Acetaldehyde phenylethyl n-propyl acetal
    • 2-(1-PROPOXYETHOXY)ETHYL)BENZENE
    • (+/-)-ACETALDEHYDE PHENETHYL PROPYL ACETAL
    • ACETALDEHYDE PHENETHYL PROPYL ACETAL [FHFI]
    • ACETALDEHYDE PHENETHYL PROPYL ACETAL, (+/-)-
    • (2-(1-propoxyethoxy)ethyl)-Benzene
    • [2-(1-propoxyethoxy)ethyl]-Benzene
    • SCHEMBL531070
    • DTXCID9031066
    • FEMA 2004
    • CHEBI:177096
    • [2-(1-Propoxyethoxy)ethyl]benzene #
    • AKOS015891283
    • [2-(1-Propoxyethoxy)ethyl]benzene, 9CI
    • DB-335864
    • Acetaldehyde phenethyl propyl acetal, >=95%
    • NS00011931
    • Q27290806
    • Hyacinth Body

  • Applications

    Acetaldehyde phenethyl propyl acetal (CAS 7493-57-4) is commonly evaluated as a fragrance ingredient and odor fixative in perfumery and cosmetics, and can serve as a supplemental aroma component in personal care products. It is also used as a fragrance ingredient in household products such as cleaners and air fresheners. In industrial manufacturing, the compound may function as a solvent or chemical intermediate for the synthesis of specialty chemicals and coatings. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1422.76
    methanol 1234.29
    isopropanol 852.91
    water 0.74
    ethyl acetate 1599.88
    n-propanol 1079.56
    acetone 1040.19
    n-butanol 1095.36
    acetonitrile 1237.86
    DMF 492.33
    toluene 640.47
    isobutanol 772.34
    1,4-dioxane 2423.31
    methyl acetate 1028.85
    THF 1661.79
    2-butanone 964.36
    n-pentanol 898.36
    sec-butanol 903.68
    n-hexane 457.09
    ethylene glycol 157.96
    NMP 499.35
    cyclohexane 726.66
    DMSO 1269.43
    n-butyl acetate 1193.22
    n-octanol 300.29
    chloroform 4957.23
    n-propyl acetate 968.33
    acetic acid 1009.33
    dichloromethane 5185.39
    cyclohexanone 1378.01
    propylene glycol 223.4
    isopropyl acetate 803.1
    DMAc 669.47
    2-ethoxyethanol 984.69
    isopentanol 857.14
    n-heptane 255.36
    ethyl formate 619.66
    1,2-dichloroethane 2762.24
    n-hexanol 903.55
    2-methoxyethanol 979.71
    isobutyl acetate 576.2
    tetrachloromethane 713.91
    n-pentyl acetate 522.43
    transcutol 2571.5
    n-heptanol 272.33
    ethylbenzene 367.88
    MIBK 503.34
    2-propoxyethanol 998.6
    tert-butanol 991.13
    MTBE 1205.61
    2-butoxyethanol 447.85
    propionic acid 670.58
    o-xylene 375.24
    formic acid 240.27
    diethyl ether 2228.25
    m-xylene 353.73
    p-xylene 462.97
    chlorobenzene 887.36
    dimethyl carbonate 252.68
    n-octane 78.15
    formamide 290.57
    cyclopentanone 866.41
    2-pentanone 816.28
    anisole 612.34
    cyclopentyl methyl ether 1008.84
    gamma-butyrolactone 983.09
    1-methoxy-2-propanol 678.31
    pyridine 1425.05
    3-pentanone 752.87
    furfural 843.08
    n-dodecane 54.21
    diethylene glycol 552.85
    diisopropyl ether 454.23
    tert-amyl alcohol 822.01
    acetylacetone 788.49
    n-hexadecane 62.5
    acetophenone 516.23
    methyl propionate 763.51
    isopentyl acetate 862.3
    trichloroethylene 3496.54
    n-nonanol 266.34
    cyclohexanol 968.49
    benzyl alcohol 472.31
    2-ethylhexanol 553.66
    isooctanol 231.38
    dipropyl ether 1052.9
    1,2-dichlorobenzene 823.73
    ethyl lactate 298.81
    propylene carbonate 687.85
    n-methylformamide 327.09
    2-pentanol 716.31
    n-pentane 322.63
    1-propoxy-2-propanol 748.05
    1-methoxy-2-propyl acetate 692.01
    2-(2-methoxypropoxy) propanol 455.41
    mesitylene 245.11
    ε-caprolactone 1209.3
    p-cymene 224.41
    epichlorohydrin 1694.3
    1,1,1-trichloroethane 1978.7
    2-aminoethanol 371.7
    morpholine-4-carbaldehyde 830.5
    sulfolane 1015.44
    2,2,4-trimethylpentane 118.96
    2-methyltetrahydrofuran 1563.27
    n-hexyl acetate 638.1
    isooctane 78.5
    2-(2-butoxyethoxy)ethanol 649.19
    sec-butyl acetate 597.66
    tert-butyl acetate 698.22
    decalin 223.27
    glycerin 267.77
    diglyme 1272.05
    acrylic acid 458.09
    isopropyl myristate 256.25
    n-butyric acid 1125.55
    acetyl acetate 886.24
    di(2-ethylhexyl) phthalate 208.68
    ethyl propionate 745.19
    nitromethane 1124.16
    1,2-diethoxyethane 1455.88
    benzonitrile 610.96
    trioctyl phosphate 151.69
    1-bromopropane 1925.87
    gamma-valerolactone 1079.69
    n-decanol 195.72
    triethyl phosphate 322.44
    4-methyl-2-pentanol 332.0
    propionitrile 931.0
    vinylene carbonate 663.08
    1,1,2-trichlorotrifluoroethane 993.74
    DMS 473.51
    cumene 236.16
    2-octanol 192.98
    2-hexanone 804.94
    octyl acetate 296.09
    limonene 381.63
    1,2-dimethoxyethane 1580.49
    ethyl orthosilicate 336.96
    tributyl phosphate 233.34
    diacetone alcohol 482.75
    N,N-dimethylaniline 378.82
    acrylonitrile 754.31
    aniline 662.63
    1,3-propanediol 563.14
    bromobenzene 1097.58
    dibromomethane 3531.96
    1,1,2,2-tetrachloroethane 3144.72
    2-methyl-cyclohexyl acetate 496.73
    tetrabutyl urea 274.97
    diisobutyl methanol 271.35
    2-phenylethanol 446.26
    styrene 510.99
    dioctyl adipate 369.28
    dimethyl sulfate 344.83
    ethyl butyrate 849.46
    methyl lactate 244.46
    butyl lactate 332.88
    diethyl carbonate 548.16
    propanediol butyl ether 354.77
    triethyl orthoformate 554.56
    p-tert-butyltoluene 206.07
    methyl 4-tert-butylbenzoate 363.94
    morpholine 2237.9
    tert-butylamine 759.01
    n-dodecanol 157.43
    dimethoxymethane 692.38
    ethylene carbonate 679.63
    cyrene 352.84
    2-ethoxyethyl acetate 638.65
    2-ethylhexyl acetate 721.08
    1,2,4-trichlorobenzene 857.93
    4-methylpyridine 1146.31
    dibutyl ether 727.72
    2,6-dimethyl-4-heptanol 271.35
    DEF 881.74
    dimethyl isosorbide 681.35
    tetrachloroethylene 2149.4
    eugenol 352.81
    triacetin 576.95
    span 80 410.74
    1,4-butanediol 298.8
    1,1-dichloroethane 2303.3
    2-methyl-1-pentanol 707.5
    methyl formate 264.23
    2-methyl-1-butanol 837.26
    n-decane 95.91
    butyronitrile 1050.44
    3,7-dimethyl-1-octanol 322.63
    1-chlorooctane 316.28
    1-chlorotetradecane 125.91
    n-nonane 102.77
    undecane 68.17
    tert-butylcyclohexane 174.21
    cyclooctane 190.31
    cyclopentanol 621.72
    tetrahydropyran 2497.94
    tert-amyl methyl ether 779.87
    2,5,8-trioxanonane 835.35
    1-hexene 1096.44
    2-isopropoxyethanol 683.56
    2,2,2-trifluoroethanol 279.97
    methyl butyrate 977.28

    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