4-Phenylbutanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    18328-11-5

    Molecular formula
    C10H12O

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 78.64%
    Floral 77.33%
    Fresh 58.42%
    Sweet 58.12%
    Aldehydic 53.74%
    Hyacinth 49.87%
    Rose 48.86%
    Honey 48.81%
    Melon 42.84%
    Waxy 40.39%

     

    Flavor
    Green 91.1%
    Fresh 64.45%
    Hyacinth 57.27%
    Leaf 52.16%
    Sweet 51.62%
    Floral 49.45%
    Bitter 45.81%
    Rose 44.71%
    Balsam 44.62%
    Waxy 44.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.79 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 109.16 ˚C est.

  • Synonyms

    • 4-Phenylbutanal
    • 18328-11-5
    • Benzenebutanal
    • 4-Phenylbutyraldehyde
    • 4-phenyl-butyraldehyde
    • Butyraldehyde, 4-phenyl-
    • MFCD00800383
    • .gamma.-Phenylbutyraldehyde
    • DTXSID80171404
    • phenylpropylketone
    • phenethylacetaldehyde
    • 4-phenylbutyraldehye
    • 4-phenyl-1-butanal
    • 4-phenyl-butan-1-al
    • gamma-Phenylbutyraldehyde
    • 3-Benzyl propionaldehyde
    • SCHEMBL66826
    • DTXCID0093895
    • TAA32811
    • AKOS010079080
    • SB34596
    • AS-56525
    • SY236716
    • D71263
    • EN300-176881
    • Z993017616
    • 686-906-2

  • Applications

    4-Phenylbutanal (CAS 18328-11-5) is primarily used as an organic-synthesis intermediate and as a fragrance-building block. In perfumery it serves as a precursor to aroma compounds; in the flavor industry it may be used as a flavor precursor; in cosmetics and personal care it can function as a fragrance ingredient; in industrial manufacturing it is employed as a general intermediate for synthesis of more complex chemicals; in pharmaceutical synthesis it may serve as an intermediate for active compounds; and in household products it can be used as a fragrance additive, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1598.25
    methanol 2147.74
    isopropanol 982.32
    water 0.46
    ethyl acetate 3832.31
    n-propanol 1175.11
    acetone 4980.4
    n-butanol 878.64
    acetonitrile 3033.11
    DMF 3158.61
    toluene 852.73
    isobutanol 752.2
    1,4-dioxane 3096.89
    methyl acetate 2793.65
    THF 2901.61
    2-butanone 3171.12
    n-pentanol 672.82
    sec-butanol 798.8
    n-hexane 121.23
    ethylene glycol 342.16
    NMP 2438.25
    cyclohexane 117.81
    DMSO 8069.37
    n-butyl acetate 1732.25
    n-octanol 211.2
    chloroform 3589.16
    n-propyl acetate 1822.04
    acetic acid 1750.25
    dichloromethane 4757.13
    cyclohexanone 2983.18
    propylene glycol 417.95
    isopropyl acetate 1387.28
    DMAc 1681.22
    2-ethoxyethanol 1271.53
    isopentanol 744.05
    n-heptane 62.54
    ethyl formate 1320.36
    1,2-dichloroethane 4616.3
    n-hexanol 627.67
    2-methoxyethanol 2182.8
    isobutyl acetate 777.56
    tetrachloromethane 453.41
    n-pentyl acetate 561.48
    transcutol 7527.28
    n-heptanol 199.61
    ethylbenzene 395.37
    MIBK 944.98
    2-propoxyethanol 1298.5
    tert-butanol 1084.67
    MTBE 1282.17
    2-butoxyethanol 538.04
    propionic acid 1639.0
    o-xylene 404.93
    formic acid 540.26
    diethyl ether 2170.21
    m-xylene 446.01
    p-xylene 430.87
    chlorobenzene 1377.05
    dimethyl carbonate 853.56
    n-octane 19.52
    formamide 1576.13
    cyclopentanone 3623.15
    2-pentanone 2462.83
    anisole 1113.56
    cyclopentyl methyl ether 1697.6
    gamma-butyrolactone 4100.45
    1-methoxy-2-propanol 1386.63
    pyridine 2946.45
    3-pentanone 1904.31
    furfural 2620.79
    n-dodecane 13.68
    diethylene glycol 882.75
    diisopropyl ether 422.42
    tert-amyl alcohol 815.56
    acetylacetone 2485.2
    n-hexadecane 16.63
    acetophenone 885.65
    methyl propionate 2638.29
    isopentyl acetate 1174.24
    trichloroethylene 6759.4
    n-nonanol 184.26
    cyclohexanol 778.05
    benzyl alcohol 662.94
    2-ethylhexanol 397.16
    isooctanol 181.86
    dipropyl ether 857.55
    1,2-dichlorobenzene 1075.39
    ethyl lactate 420.71
    propylene carbonate 1730.08
    n-methylformamide 2613.75
    2-pentanol 596.61
    n-pentane 64.1
    1-propoxy-2-propanol 971.76
    1-methoxy-2-propyl acetate 1324.83
    2-(2-methoxypropoxy) propanol 619.23
    mesitylene 247.02
    ε-caprolactone 2265.81
    p-cymene 172.85
    epichlorohydrin 4699.24
    1,1,1-trichloroethane 2546.95
    2-aminoethanol 713.08
    morpholine-4-carbaldehyde 2368.6
    sulfolane 4401.28
    2,2,4-trimethylpentane 43.36
    2-methyltetrahydrofuran 2704.8
    n-hexyl acetate 804.4
    isooctane 35.59
    2-(2-butoxyethoxy)ethanol 1044.18
    sec-butyl acetate 924.14
    tert-butyl acetate 1191.56
    decalin 89.8
    glycerin 537.09
    diglyme 2170.87
    acrylic acid 1298.33
    isopropyl myristate 244.78
    n-butyric acid 1868.02
    acetyl acetate 1307.9
    di(2-ethylhexyl) phthalate 201.21
    ethyl propionate 1436.71
    nitromethane 5460.12
    1,2-diethoxyethane 2194.26
    benzonitrile 1038.75
    trioctyl phosphate 143.26
    1-bromopropane 1567.39
    gamma-valerolactone 3631.46
    n-decanol 135.54
    triethyl phosphate 317.77
    4-methyl-2-pentanol 298.64
    propionitrile 1696.72
    vinylene carbonate 1474.28
    1,1,2-trichlorotrifluoroethane 2094.58
    DMS 930.43
    cumene 220.44
    2-octanol 132.04
    2-hexanone 1608.81
    octyl acetate 299.16
    limonene 282.36
    1,2-dimethoxyethane 2147.64
    ethyl orthosilicate 317.41
    tributyl phosphate 244.64
    diacetone alcohol 1092.54
    N,N-dimethylaniline 485.63
    acrylonitrile 2338.12
    aniline 1185.8
    1,3-propanediol 878.73
    bromobenzene 1503.71
    dibromomethane 2697.08
    1,1,2,2-tetrachloroethane 4393.78
    2-methyl-cyclohexyl acetate 542.4
    tetrabutyl urea 301.25
    diisobutyl methanol 230.03
    2-phenylethanol 562.78
    styrene 665.54
    dioctyl adipate 402.9
    dimethyl sulfate 1269.33
    ethyl butyrate 1084.35
    methyl lactate 614.71
    butyl lactate 449.94
    diethyl carbonate 626.43
    propanediol butyl ether 582.2
    triethyl orthoformate 569.64
    p-tert-butyltoluene 155.73
    methyl 4-tert-butylbenzoate 445.9
    morpholine 3677.33
    tert-butylamine 591.85
    n-dodecanol 101.18
    dimethoxymethane 2058.89
    ethylene carbonate 1256.95
    cyrene 482.93
    2-ethoxyethyl acetate 1065.38
    2-ethylhexyl acetate 888.3
    1,2,4-trichlorobenzene 1219.71
    4-methylpyridine 2372.29
    dibutyl ether 633.54
    2,6-dimethyl-4-heptanol 230.03
    DEF 2533.76
    dimethyl isosorbide 1085.86
    tetrachloroethylene 2854.93
    eugenol 468.85
    triacetin 774.8
    span 80 463.83
    1,4-butanediol 332.95
    1,1-dichloroethane 3114.22
    2-methyl-1-pentanol 568.02
    methyl formate 1700.4
    2-methyl-1-butanol 700.76
    n-decane 26.91
    butyronitrile 1405.79
    3,7-dimethyl-1-octanol 286.36
    1-chlorooctane 193.99
    1-chlorotetradecane 64.16
    n-nonane 27.64
    undecane 18.59
    tert-butylcyclohexane 82.57
    cyclooctane 44.27
    cyclopentanol 852.93
    tetrahydropyran 2792.38
    tert-amyl methyl ether 837.69
    2,5,8-trioxanonane 1193.89
    1-hexene 620.8
    2-isopropoxyethanol 858.32
    2,2,2-trifluoroethanol 508.08
    methyl butyrate 1873.42

    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