Benzaldehyde, 4-hexyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    49763-69-1

    Molecular formula
    C13H18O

    SMILES
    CCCCCCC1=CC=C(C=C1)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 61.67%
    Fatty 58.7%
    Sweet 55.44%
    Herbal 52.42%
    Waxy 47.1%
    Floral 46.67%
    Fresh 42.83%
    Aldehydic 41.51%
    Citrus 40.16%
    Spicy 36.06%

     

    Flavor
    Green 61.68%
    Fresh 52.35%
    Herbal 45.91%
    Fatty 44.8%
    Sweet 44.22%
    Waxy 44.17%
    Spicy 38.05%
    Floral 37.71%
    Fruity 34.96%
    Oily 33.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.63 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 129.03 ˚C est.

  • Synonyms

    • 49763-69-1
    • Benzaldehyde, 4-hexyl-
    • EINECS 256-479-3
    • DTXSID5068522
    • RefChem:561372
    • DTXCID7040738
    • 4-hexylbenzaldehyde
    • 4-N-HEXYLBENZALDEHYDE
    • p-Hexylbenzaldehyde
    • MFCD00041871
    • parahexylbenzaldehyde
    • p-n-hexylbenzaldehyde
    • p-Hexylbenzaldehyde, j
    • SCHEMBL1884477
    • SCHEMBL2119883
    • BDBM85655
    • SBB059138
    • AKOS023873983
    • DB-051690
    • NS00031965
    • ST51044266
    • A1-79609
    • 49763-69-1

  • Applications

    Benzaldehyde, 4-hexyl-, CAS 49763-69-1 is primarily used as an aroma chemical and fragrance intermediate. It serves as an odorant and a building block in perfumery to help form para-hexyl notes on the benzene ring, and is often incorporated into cosmetic and personal care formulations where fragrance is desired. In the flavor and beverage sector it can function as a precursor to aroma compounds used to impart specific notes. In industrial manufacturing it is employed as an intermediate in organic synthesis to prepare further benzaldehyde derivatives and other specialty chemicals. It can also act as a starting material for research and development of aromatic compounds and material applications, including as a precursor for specialty polymers or related materials. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5797.7
    methanol 4649.0
    isopropanol 3308.92
    water 0.03
    ethyl acetate 12560.21
    n-propanol 4841.38
    acetone 9578.07
    n-butanol 3513.89
    acetonitrile 7630.15
    DMF 6279.85
    toluene 2255.68
    isobutanol 2509.17
    1,4-dioxane 6470.68
    methyl acetate 6578.31
    THF 5395.47
    2-butanone 8692.6
    n-pentanol 2077.4
    sec-butanol 2542.3
    n-hexane 355.93
    ethylene glycol 275.69
    NMP 2136.69
    cyclohexane 363.43
    DMSO 6144.25
    n-butyl acetate 4458.91
    n-octanol 263.58
    chloroform 7301.64
    n-propyl acetate 4460.76
    acetic acid 1609.84
    dichloromethane 11317.73
    cyclohexanone 5974.63
    propylene glycol 562.19
    isopropyl acetate 5256.35
    DMAc 3120.35
    2-ethoxyethanol 3220.6
    isopentanol 2585.95
    n-heptane 94.08
    ethyl formate 2613.16
    1,2-dichloroethane 11762.4
    n-hexanol 1785.23
    2-methoxyethanol 5759.89
    isobutyl acetate 1984.64
    tetrachloromethane 749.31
    n-pentyl acetate 1202.71
    transcutol 10027.52
    n-heptanol 363.91
    ethylbenzene 847.4
    MIBK 2793.94
    2-propoxyethanol 3577.4
    tert-butanol 3167.39
    MTBE 6179.25
    2-butoxyethanol 995.73
    propionic acid 2256.67
    o-xylene 723.88
    formic acid 338.25
    diethyl ether 11246.52
    m-xylene 1026.06
    p-xylene 795.76
    chlorobenzene 2425.63
    dimethyl carbonate 1251.34
    n-octane 33.76
    formamide 1115.84
    cyclopentanone 5189.8
    2-pentanone 7190.04
    anisole 2011.29
    cyclopentyl methyl ether 3859.98
    gamma-butyrolactone 4700.74
    1-methoxy-2-propanol 4066.27
    pyridine 5895.75
    3-pentanone 4868.89
    furfural 2939.02
    n-dodecane 21.19
    diethylene glycol 1521.63
    diisopropyl ether 1695.86
    tert-amyl alcohol 2273.1
    acetylacetone 5210.26
    n-hexadecane 26.41
    acetophenone 1463.78
    methyl propionate 6523.7
    isopentyl acetate 3142.98
    trichloroethylene 13351.74
    n-nonanol 253.43
    cyclohexanol 1759.02
    benzyl alcohol 1141.13
    2-ethylhexanol 856.46
    isooctanol 332.31
    dipropyl ether 2395.89
    1,2-dichlorobenzene 1814.19
    ethyl lactate 721.49
    propylene carbonate 2153.04
    n-methylformamide 3576.94
    2-pentanol 2184.1
    n-pentane 246.15
    1-propoxy-2-propanol 2332.49
    1-methoxy-2-propyl acetate 3482.94
    2-(2-methoxypropoxy) propanol 848.84
    mesitylene 521.17
    ε-caprolactone 4272.95
    p-cymene 287.04
    epichlorohydrin 8815.89
    1,1,1-trichloroethane 5741.04
    2-aminoethanol 1173.65
    morpholine-4-carbaldehyde 3204.69
    sulfolane 3695.09
    2,2,4-trimethylpentane 98.83
    2-methyltetrahydrofuran 5249.69
    n-hexyl acetate 1259.27
    isooctane 98.72
    2-(2-butoxyethoxy)ethanol 1431.74
    sec-butyl acetate 2563.99
    tert-butyl acetate 3903.97
    decalin 176.94
    glycerin 544.37
    diglyme 3273.77
    acrylic acid 1186.24
    isopropyl myristate 400.28
    n-butyric acid 4080.76
    acetyl acetate 2860.64
    di(2-ethylhexyl) phthalate 252.35
    ethyl propionate 3676.28
    nitromethane 5501.04
    1,2-diethoxyethane 5163.6
    benzonitrile 1806.63
    trioctyl phosphate 182.74
    1-bromopropane 6441.4
    gamma-valerolactone 6201.04
    n-decanol 190.69
    triethyl phosphate 488.49
    4-methyl-2-pentanol 884.81
    propionitrile 5512.37
    vinylene carbonate 1827.85
    1,1,2-trichlorotrifluoroethane 2791.15
    DMS 1345.45
    cumene 404.72
    2-octanol 223.87
    2-hexanone 3796.97
    octyl acetate 452.95
    limonene 508.22
    1,2-dimethoxyethane 5626.7
    ethyl orthosilicate 515.25
    tributyl phosphate 331.62
    diacetone alcohol 2462.56
    N,N-dimethylaniline 782.07
    acrylonitrile 5190.68
    aniline 2147.97
    1,3-propanediol 1885.52
    bromobenzene 2712.0
    dibromomethane 7041.28
    1,1,2,2-tetrachloroethane 8820.92
    2-methyl-cyclohexyl acetate 910.39
    tetrabutyl urea 384.27
    diisobutyl methanol 458.38
    2-phenylethanol 1071.18
    styrene 1401.17
    dioctyl adipate 535.07
    dimethyl sulfate 1301.94
    ethyl butyrate 2512.15
    methyl lactate 932.68
    butyl lactate 696.0
    diethyl carbonate 1177.23
    propanediol butyl ether 633.91
    triethyl orthoformate 1074.15
    p-tert-butyltoluene 276.02
    methyl 4-tert-butylbenzoate 583.03
    morpholine 9229.53
    tert-butylamine 2052.64
    n-dodecanol 141.72
    dimethoxymethane 5996.66
    ethylene carbonate 1806.7
    cyrene 575.98
    2-ethoxyethyl acetate 2086.64
    2-ethylhexyl acetate 2099.18
    1,2,4-trichlorobenzene 1940.52
    4-methylpyridine 5710.17
    dibutyl ether 1319.3
    2,6-dimethyl-4-heptanol 458.38
    DEF 7013.11
    dimethyl isosorbide 1486.01
    tetrachloroethylene 4855.05
    eugenol 579.68
    triacetin 933.15
    span 80 565.95
    1,4-butanediol 504.03
    1,1-dichloroethane 9650.1
    2-methyl-1-pentanol 1540.08
    methyl formate 1737.72
    2-methyl-1-butanol 2270.25
    n-decane 40.09
    butyronitrile 4957.18
    3,7-dimethyl-1-octanol 463.02
    1-chlorooctane 311.93
    1-chlorotetradecane 98.32
    n-nonane 41.65
    undecane 27.99
    tert-butylcyclohexane 167.78
    cyclooctane 96.7
    cyclopentanol 1320.15
    tetrahydropyran 8302.27
    tert-amyl methyl ether 2963.35
    2,5,8-trioxanonane 1551.74
    1-hexene 2297.41
    2-isopropoxyethanol 1968.05
    2,2,2-trifluoroethanol 353.45
    methyl butyrate 4776.3

    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