4-Propylbenzaldehyde

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  • Identifiers

    CAS number
    28785-06-0

    Molecular formula
    C10H12O

    SMILES
    CCCC1=CC=C(C=C1)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.67%
    Green 65.44%
    Herbal 61.74%
    Spicy 54.64%
    Fruity 54.22%
    Almond 45.02%
    Cherry 41.51%
    Anisic 39.22%
    Bitter 37.87%
    Phenolic 36.59%

     

    Flavor
    Sweet 63.18%
    Green 48.19%
    Almond 47.3%
    Bitter 44.43%
    Cherry 42.63%
    Spicy 42.27%
    Balsam 37.87%
    Fruity 37.36%
    Cinnamon 34.83%
    Fresh 32.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.33 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 95.61 ˚C est.

  • Synonyms

    • 4-Propylbenzaldehyde
    • 28785-06-0
    • Benzaldehyde, 4-propyl-
    • p-Propylbenzaldehyde
    • 4-Propylbenzaldehyd
    • Benzaldehyde, p-propyl-
    • BRN 2206736
    • AFA5SA2NA5
    • EINECS 249-221-6
    • DTXSID6067412
    • (4-PROPYLPHENYL)METHANONE
    • 4-(N-PROPYL)BENZALDEHYDE
    • 2-07-00-00246 (Beilstein Handbook Reference)
    • RefChem:526580
    • DTXCID9037870
    • 249-221-6
    • 4-n-Propylbenzaldehyde
    • MFCD00041870
    • 4-PropYl-Benzaldehyde
    • 1-Formyl-4-propylbenzene
    • 4-Propyl-benzaldehyd
    • 4-propyl benzaldehyde
    • p-n-propylbenzaldehyde
    • p-Propyl-benzaldehyde, e
    • UNII-AFA5SA2NA5
    • 4-Propylbenzaldehyde, 95%
    • SCHEMBL493764
    • SCHEMBL910600
    • SCHEMBL22322066
    • SCHEMBL27577957
    • SCHEMBL27815319
    • BDBM85651
    • CK1040
    • SBB059136
    • AKOS009075840
    • CS-W017745
    • DS-4247
    • EBC-612895
    • FP64032
    • SY109588
    • DB-047455
    • NS00028543
    • ST51044265
    • EN300-22062
    • F022359
    • Z147641436
    • 28785-06-0

  • Applications

    4-Propylbenzaldehyde (CAS 28785-06-0) is a versatile organic intermediate used across multiple sectors. In fragrance and flavor chemistry it serves as a precursor and odorant-building block for synthesizing aroma compounds and related materials; in cosmetics and personal care it may be used as a fragrance ingredient or as a precursor for formulation components; in industrial manufacturing it acts as a building block for aromatic compounds, including dyes and other specialty chemicals; it can also serve as a starting point for polymer and plastic material development through subsequent functionalization of the aldehyde group. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2127.77
    methanol 2228.08
    isopropanol 1262.85
    water 0.36
    ethyl acetate 5648.81
    n-propanol 1799.54
    acetone 7375.57
    n-butanol 1379.35
    acetonitrile 4686.18
    DMF 7158.53
    toluene 1668.47
    isobutanol 1159.05
    1,4-dioxane 3634.62
    methyl acetate 4508.42
    THF 4381.97
    2-butanone 5341.92
    n-pentanol 1005.05
    sec-butanol 1146.51
    n-hexane 201.22
    ethylene glycol 354.3
    NMP 4881.76
    cyclohexane 168.4
    DMSO 8707.47
    n-butyl acetate 2676.47
    n-octanol 262.26
    chloroform 5687.51
    n-propyl acetate 2518.01
    acetic acid 1796.68
    dichloromethane 7953.29
    cyclohexanone 4595.13
    propylene glycol 451.41
    isopropyl acetate 2321.86
    DMAc 3272.79
    2-ethoxyethanol 1754.12
    isopentanol 1221.46
    n-heptane 59.22
    ethyl formate 2017.61
    1,2-dichloroethane 8190.97
    n-hexanol 1084.62
    2-methoxyethanol 2973.85
    isobutyl acetate 1198.82
    tetrachloromethane 773.36
    n-pentyl acetate 883.72
    transcutol 8595.75
    n-heptanol 295.82
    ethylbenzene 673.85
    MIBK 1742.49
    2-propoxyethanol 2136.6
    tert-butanol 1602.81
    MTBE 2563.81
    2-butoxyethanol 772.91
    propionic acid 2064.56
    o-xylene 680.93
    formic acid 613.91
    diethyl ether 3661.89
    m-xylene 881.18
    p-xylene 713.5
    chlorobenzene 2601.12
    dimethyl carbonate 1541.95
    n-octane 24.59
    formamide 1949.55
    cyclopentanone 6124.46
    2-pentanone 4030.43
    anisole 1798.13
    cyclopentyl methyl ether 2990.17
    gamma-butyrolactone 6607.79
    1-methoxy-2-propanol 2062.26
    pyridine 4224.21
    3-pentanone 3224.1
    furfural 4030.05
    n-dodecane 16.88
    diethylene glycol 1194.83
    diisopropyl ether 751.54
    tert-amyl alcohol 1296.57
    acetylacetone 3793.92
    n-hexadecane 20.94
    acetophenone 1353.0
    methyl propionate 4438.82
    isopentyl acetate 1865.68
    trichloroethylene 12005.21
    n-nonanol 230.31
    cyclohexanol 1026.94
    benzyl alcohol 987.97
    2-ethylhexanol 564.83
    isooctanol 260.94
    dipropyl ether 994.86
    1,2-dichlorobenzene 2059.86
    ethyl lactate 575.05
    propylene carbonate 2741.91
    n-methylformamide 4492.47
    2-pentanol 943.82
    n-pentane 116.68
    1-propoxy-2-propanol 1424.3
    1-methoxy-2-propyl acetate 2246.97
    2-(2-methoxypropoxy) propanol 783.65
    mesitylene 455.76
    ε-caprolactone 3523.0
    p-cymene 244.08
    epichlorohydrin 8327.63
    1,1,1-trichloroethane 5157.18
    2-aminoethanol 881.43
    morpholine-4-carbaldehyde 3693.15
    sulfolane 6846.95
    2,2,4-trimethylpentane 72.54
    2-methyltetrahydrofuran 4320.5
    n-hexyl acetate 1180.28
    isooctane 75.95
    2-(2-butoxyethoxy)ethanol 1291.37
    sec-butyl acetate 1402.5
    tert-butyl acetate 2292.96
    decalin 130.79
    glycerin 566.98
    diglyme 2679.64
    acrylic acid 1710.46
    isopropyl myristate 332.97
    n-butyric acid 2486.82
    acetyl acetate 1916.32
    di(2-ethylhexyl) phthalate 263.18
    ethyl propionate 2195.89
    nitromethane 7164.97
    1,2-diethoxyethane 2919.41
    benzonitrile 1773.16
    trioctyl phosphate 197.04
    1-bromopropane 3098.19
    gamma-valerolactone 5729.68
    n-decanol 171.62
    triethyl phosphate 404.43
    4-methyl-2-pentanol 489.54
    propionitrile 2810.17
    vinylene carbonate 2333.38
    1,1,2-trichlorotrifluoroethane 3074.01
    DMS 1509.77
    cumene 351.41
    2-octanol 199.38
    2-hexanone 2420.31
    octyl acetate 429.96
    limonene 394.98
    1,2-dimethoxyethane 3053.51
    ethyl orthosilicate 406.33
    tributyl phosphate 348.7
    diacetone alcohol 1795.75
    N,N-dimethylaniline 811.45
    acrylonitrile 4022.67
    aniline 1860.03
    1,3-propanediol 1178.98
    bromobenzene 2939.88
    dibromomethane 4597.4
    1,1,2,2-tetrachloroethane 7756.84
    2-methyl-cyclohexyl acetate 724.19
    tetrabutyl urea 421.05
    diisobutyl methanol 306.01
    2-phenylethanol 947.87
    styrene 1114.16
    dioctyl adipate 489.47
    dimethyl sulfate 2209.53
    ethyl butyrate 1399.86
    methyl lactate 949.31
    butyl lactate 623.38
    diethyl carbonate 804.86
    propanediol butyl ether 686.71
    triethyl orthoformate 673.39
    p-tert-butyltoluene 236.87
    methyl 4-tert-butylbenzoate 612.9
    morpholine 4803.54
    tert-butylamine 954.34
    n-dodecanol 127.68
    dimethoxymethane 3731.3
    ethylene carbonate 1911.19
    cyrene 688.19
    2-ethoxyethyl acetate 1680.71
    2-ethylhexyl acetate 1372.57
    1,2,4-trichlorobenzene 2329.21
    4-methylpyridine 4447.18
    dibutyl ether 741.38
    2,6-dimethyl-4-heptanol 306.01
    DEF 4777.51
    dimethyl isosorbide 1520.41
    tetrachloroethylene 4415.8
    eugenol 671.2
    triacetin 908.44
    span 80 572.33
    1,4-butanediol 447.68
    1,1-dichloroethane 6253.9
    2-methyl-1-pentanol 900.37
    methyl formate 2626.05
    2-methyl-1-butanol 1147.22
    n-decane 30.87
    butyronitrile 2336.05
    3,7-dimethyl-1-octanol 368.18
    1-chlorooctane 259.23
    1-chlorotetradecane 85.49
    n-nonane 31.18
    undecane 22.06
    tert-butylcyclohexane 133.15
    cyclooctane 60.91
    cyclopentanol 1200.46
    tetrahydropyran 3897.74
    tert-amyl methyl ether 1514.98
    2,5,8-trioxanonane 1394.99
    1-hexene 1014.24
    2-isopropoxyethanol 1184.08
    2,2,2-trifluoroethanol 622.2
    methyl butyrate 2726.05

    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