4-(Prop-1-en-2-yl)benzaldehyde

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  • Identifiers

    CAS number
    10133-50-3

    Molecular formula
    C10H10O

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

  • Odor profile

    Sweet 68.79%
    Spicy 65.52%
    Herbal 60.62%
    Cherry 48.54%
    Bitter 48.33%
    Almond 47.77%
    Phenolic 45.97%
    Nutty 42.8%
    Cinnamon 40.65%
    Floral 38.29%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.69 (neutral)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point est.
    99.34 ˚C

  • Synonyms

    • 4-(prop-1-en-2-yl)benzaldehyde
    • 10133-50-3
    • 4-prop-1-en-2-ylbenzaldehyde
    • 4-(1-methylethenyl)benzaldehyde
    • 83R6TC4DA4
    • Benzaldehyde, 4-(1-methylethenyl)-
    • 4-Isopropenylbenzaldehyde
    • p-Isopropenylbenzaldehyde
    • 4-isopropenyl-benzaldehyde
    • UNII-83R6TC4DA4
    • SCHEMBL47357
    • CHEBI:173616
    • DTXSID801303619
    • p-Mentha-1,3,5,8-tetraen-7-al
    • AKOS015895247
    • DB-315908
    • EN300-737125

  • Applications

    4-(Prop-1-en-2-yl)benzaldehyde (CAS 10133-50-3) is an aromatic building block featuring two complementary reactive handles (an aldehyde group and an isopropenyl double bond), widely used as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, fragrances, and functional materials; the –CHO group readily forms Schiff bases/oximes/hydrazones/acylhydrazones for bioactivity exploration, metal–ligand construction, and dynamic covalent polymer networks (self-healing materials, adaptive adhesives), and participates in Knoevenagel and Wittig/Horner–Wadsworth–Emmons reactions to extend conjugation and access chalcones, stilbenes, styrenic derivatives, and diverse heterocycles; the isopropenyl alkene enables downstream transformations such as radical polymerization, thiol–ene coupling, epoxidation, or hydroboration–oxidation to install functionality or anchor onto surfaces/particles; in fragrance chemistry, this scaffold and its derivatives serve as convenient precursors to substituted aromatic aldehydes used for warm, resinous, spicy notes and fixatives; in analytical and biotech contexts, the aldehyde allows selective coupling to amines/proteins (Schiff linkage) for biomolecule immobilization and sensor fabrication, and can be used in derivatization/standardization workflows; it is chosen when a balance between aldehyde reactivity and aromatic stability is desired, from lab to manufacturing scales, with safety considerations that aldehydes are irritants and prone to oxidation, thus requiring fume-hood handling and cool, light-protected storage.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 201.15
    methanol 189.97
    isopropanol 118.87
    water 0.29
    ethyl acetate 663.68
    n-propanol 171.32
    acetone 508.59
    n-butanol 146.88
    acetonitrile 544.78
    DMF 679.67
    toluene 331.18
    isobutanol 102.36
    1,4-dioxane 668.67
    methyl acetate 640.73
    THF 742.91
    2-butanone 637.92
    n-pentanol 127.71
    sec-butanol 138.58
    n-hexane 19.52
    ethylene glycol 43.17
    NMP 854.5
    cyclohexane 22.2
    DMSO 773.78
    n-butyl acetate 418.2
    n-octanol 43.62
    chloroform 970.43
    n-propyl acetate 400.73
    acetic acid 283.35
    dichloromethane 1196.01
    cyclohexanone 587.61
    propylene glycol 60.08
    isopropyl acetate 289.29
    DMAc 691.4
    2-ethoxyethanol 323.32
    isopentanol 141.98
    n-heptane 10.08
    ethyl formate 298.18
    1,2-dichloroethane 951.4
    n-hexanol 133.62
    2-methoxyethanol 401.02
    isobutyl acetate 171.15
    tetrachloromethane 143.8
    n-pentyl acetate 145.95
    transcutol 2132.44
    n-heptanol 54.53
    ethylbenzene 179.22
    MIBK 216.91
    2-propoxyethanol 315.02
    tert-butanol 188.85
    MTBE 276.35
    2-butoxyethanol 168.7
    propionic acid 259.72
    o-xylene 172.89
    formic acid 154.13
    diethyl ether 411.88
    m-xylene 175.94
    p-xylene 191.36
    chlorobenzene 460.58
    dimethyl carbonate 213.8
    n-octane 2.48
    formamide 445.65
    cyclopentanone 735.45
    2-pentanone 409.15
    anisole 540.45
    cyclopentyl methyl ether 360.17
    gamma-butyrolactone 916.48
    1-methoxy-2-propanol 263.8
    pyridine 914.13
    3-pentanone 398.03
    furfural 948.51
    n-dodecane 1.47
    diethylene glycol 201.3
    diisopropyl ether 94.98
    tert-amyl alcohol 194.27
    acetylacetone 522.97
    n-hexadecane 1.85
    acetophenone 436.09
    methyl propionate 486.89
    isopentyl acetate 323.47
    trichloroethylene 1853.75
    n-nonanol 40.87
    cyclohexanol 135.3
    benzyl alcohol 262.9
    2-ethylhexanol 97.45
    isooctanol 48.13
    dipropyl ether 157.49
    1,2-dichlorobenzene 441.05
    ethyl lactate 132.69
    propylene carbonate 473.98
    n-methylformamide 490.88
    2-pentanol 109.05
    n-pentane 13.94
    1-propoxy-2-propanol 232.97
    1-methoxy-2-propyl acetate 452.01
    2-(2-methoxypropoxy) propanol 279.92
    mesitylene 87.84
    ε-caprolactone 589.48
    p-cymene 76.67
    epichlorohydrin 1321.61
    1,1,1-trichloroethane 717.66
    2-aminoethanol 109.83
    morpholine-4-carbaldehyde 823.61
    sulfolane 892.83
    2,2,4-trimethylpentane 10.83
    2-methyltetrahydrofuran 639.64
    n-hexyl acetate 204.12
    isooctane 8.24
    2-(2-butoxyethoxy)ethanol 364.54
    sec-butyl acetate 251.22
    tert-butyl acetate 330.85
    decalin 21.19
    glycerin 98.66
    diglyme 824.85
    acrylic acid 254.52
    isopropyl myristate 67.43
    n-butyric acid 287.96
    acetyl acetate 330.61
    di(2-ethylhexyl) phthalate 82.07
    ethyl propionate 356.85
    nitromethane 1052.02
    1,2-diethoxyethane 502.98
    benzonitrile 395.65
    trioctyl phosphate 42.48
    1-bromopropane 326.62
    gamma-valerolactone 948.96
    n-decanol 27.06
    triethyl phosphate 128.81
    4-methyl-2-pentanol 69.91
    propionitrile 322.38
    vinylene carbonate 424.48
    1,1,2-trichlorotrifluoroethane 709.34
    DMS 316.26
    cumene 96.18
    2-octanol 30.17
    2-hexanone 365.05
    octyl acetate 83.53
    limonene 95.31
    1,2-dimethoxyethane 593.89
    ethyl orthosilicate 121.22
    tributyl phosphate 77.7
    diacetone alcohol 322.07
    N,N-dimethylaniline 265.02
    acrylonitrile 517.59
    aniline 385.84
    1,3-propanediol 148.61
    bromobenzene 467.14
    dibromomethane 670.28
    1,1,2,2-tetrachloroethane 1171.06
    2-methyl-cyclohexyl acetate 201.88
    tetrabutyl urea 90.33
    diisobutyl methanol 62.59
    2-phenylethanol 241.87
    styrene 268.2
    dioctyl adipate 140.06
    dimethyl sulfate 351.35
    ethyl butyrate 295.18
    methyl lactate 157.02
    butyl lactate 130.19
    diethyl carbonate 209.21
    propanediol butyl ether 161.0
    triethyl orthoformate 186.54
    p-tert-butyltoluene 69.38
    methyl 4-tert-butylbenzoate 205.04
    morpholine 797.16
    tert-butylamine 112.83
    n-dodecanol 18.54
    dimethoxymethane 412.37
    ethylene carbonate 305.66
    cyrene 261.29
    2-ethoxyethyl acetate 332.8
    2-ethylhexyl acetate 261.65
    1,2,4-trichlorobenzene 573.29
    4-methylpyridine 821.49
    dibutyl ether 103.63
    2,6-dimethyl-4-heptanol 62.59
    DEF 575.87
    dimethyl isosorbide 525.91
    tetrachloroethylene 721.84
    eugenol 216.1
    triacetin 285.15
    span 80 166.89
    1,4-butanediol 61.57
    1,1-dichloroethane 648.85
    2-methyl-1-pentanol 145.52
    methyl formate 326.25
    2-methyl-1-butanol 134.8
    n-decane 3.11
    butyronitrile 273.2
    3,7-dimethyl-1-octanol 69.32
    1-chlorooctane 35.19
    1-chlorotetradecane 10.18
    n-nonane 3.06
    undecane 2.02
    tert-butylcyclohexane 19.6
    cyclooctane 8.59
    cyclopentanol 133.89
    tetrahydropyran 521.8
    tert-amyl methyl ether 233.11
    2,5,8-trioxanonane 503.17
    1-hexene 97.47
    2-isopropoxyethanol 213.5
    2,2,2-trifluoroethanol 131.35
    methyl butyrate 435.53

    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

Botanical

Name CAS Botanical Proportion
Hortensis leaf Euodia hortensis forma hortensis, fam. Saxifragaceae (Hydrangea) 0.1%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.16%