p-tert-Butylcinnamaldehyde

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  • Identifiers

    CAS number
    84434-23-1

    Molecular formula
    C13H16O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 67.68%
    Spicy 65.28%
    Floral 55.9%
    Cinnamon 45.99%
    Balsamic 43.99%
    Powdery 42.6%
    Herbal 42.04%
    Woody 40.17%
    Warm 38.82%
    Green 36.77%

     

    Flavor
    Green 57.77%
    Sweet 56.98%
    Floral 46.54%
    Spicy 46.1%
    Herbal 41.82%
    Bitter 36.48%
    Spice 34.76%
    Fresh 33.94%
    Woody 33.86%
    Cinnamon 32.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.07 (neutral)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 133.78 ˚C est.

  • Synonyms

    • 84434-23-1
    • p-tert-Butylcinnamaldehyde
    • EINECS 282-823-7
    • EC 282-823-7
    • RefChem:367747
    • 282-823-7
    • (E)-3-(4-(tert-Butyl)phenyl)acrylaldehyde
    • 3-(4-(tert-Butyl)phenyl)acrylaldehyde
    • 86604-07-1
    • (E)-3-[4-(tert-Butyl)phenyl]acrylaldehyde
    • 3-(4-tert-butylphenyl)prop-2-enal
    • 3-(4-tert-Butyl-phenyl)-propenal
    • 4-tert-Butylcinnamaldehyde
    • 8A6JPK6WSA
    • 3-(4-t-butylphenyl)propenal
    • SCHEMBL2294016
    • (E)-4-tert-Butylcinnamaldehyde
    • trans-4-tert-Butylcinnamaldehyde
    • ICSATJUWLAEQQU-SNAWJCMRSA-N
    • MFCD00483153
    • AKOS006274227
    • AC-17567
    • SY415081
    • CS-0349884
    • EN300-1866003
    • 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-
    • (2E)-3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal
    • 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-, (2E)-
    • 84434-23-1

  • Applications

    p-tert-Butylcinnamaldehyde (CAS 84434-23-1) is primarily used as an aroma chemical in perfumery, contributing a warm, cinnamon-like note to fragrance blends; it also functions as a building block or intermediate in the synthesis of fragrance ingredients for custom scent formulations. It may be used as a component in cosmetics and personal-care products to impart spice-like notes, and in household products such as air fresheners and cleaners to provide a cinnamon-spice aroma. In industrial manufacturing, it is employed as a synthetic intermediate for the development of specialty fragrance-related chemicals used in coatings, inks, and adhesives. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 344.1
    methanol 245.55
    isopropanol 190.22
    water 0.17
    ethyl acetate 600.81
    n-propanol 258.05
    acetone 318.0
    n-butanol 243.54
    acetonitrile 259.58
    DMF 424.1
    toluene 232.07
    isobutanol 140.12
    1,4-dioxane 606.28
    methyl acetate 388.78
    THF 722.18
    2-butanone 388.59
    n-pentanol 150.56
    sec-butanol 149.37
    n-hexane 63.89
    ethylene glycol 38.01
    NMP 263.49
    cyclohexane 51.82
    DMSO 165.33
    n-butyl acetate 320.12
    n-octanol 57.78
    chloroform 689.93
    n-propyl acetate 240.22
    acetic acid 116.92
    dichloromethane 561.09
    cyclohexanone 370.09
    propylene glycol 89.81
    isopropyl acetate 316.83
    DMAc 411.49
    2-ethoxyethanol 242.05
    isopentanol 183.97
    n-heptane 36.74
    ethyl formate 167.41
    1,2-dichloroethane 470.06
    n-hexanol 245.56
    2-methoxyethanol 388.63
    isobutyl acetate 171.44
    tetrachloromethane 72.75
    n-pentyl acetate 99.06
    transcutol 908.11
    n-heptanol 71.28
    ethylbenzene 130.41
    MIBK 222.86
    2-propoxyethanol 422.71
    tert-butanol 242.07
    MTBE 368.3
    2-butoxyethanol 146.75
    propionic acid 140.27
    o-xylene 116.26
    formic acid 39.37
    diethyl ether 589.54
    m-xylene 159.78
    p-xylene 137.31
    chlorobenzene 216.9
    dimethyl carbonate 140.44
    n-octane 12.61
    formamide 88.47
    cyclopentanone 410.92
    2-pentanone 379.74
    anisole 267.35
    cyclopentyl methyl ether 361.04
    gamma-butyrolactone 379.18
    1-methoxy-2-propanol 343.66
    pyridine 371.12
    3-pentanone 307.05
    furfural 289.21
    n-dodecane 8.33
    diethylene glycol 214.59
    diisopropyl ether 163.01
    tert-amyl alcohol 170.98
    acetylacetone 312.04
    n-hexadecane 9.57
    acetophenone 189.26
    methyl propionate 423.91
    isopentyl acetate 268.92
    trichloroethylene 708.77
    n-nonanol 57.65
    cyclohexanol 145.05
    benzyl alcohol 145.45
    2-ethylhexanol 142.35
    isooctanol 62.49
    dipropyl ether 271.03
    1,2-dichlorobenzene 192.23
    ethyl lactate 103.19
    propylene carbonate 223.11
    n-methylformamide 171.44
    2-pentanol 171.18
    n-pentane 46.05
    1-propoxy-2-propanol 308.92
    1-methoxy-2-propyl acetate 367.82
    2-(2-methoxypropoxy) propanol 185.83
    mesitylene 95.74
    ε-caprolactone 320.49
    p-cymene 71.96
    epichlorohydrin 594.73
    1,1,1-trichloroethane 366.15
    2-aminoethanol 117.41
    morpholine-4-carbaldehyde 398.67
    sulfolane 300.25
    2,2,4-trimethylpentane 22.11
    2-methyltetrahydrofuran 473.71
    n-hexyl acetate 148.06
    isooctane 23.45
    2-(2-butoxyethoxy)ethanol 240.02
    sec-butyl acetate 197.41
    tert-butyl acetate 327.16
    decalin 34.64
    glycerin 91.36
    diglyme 441.53
    acrylic acid 95.82
    isopropyl myristate 73.79
    n-butyric acid 237.6
    acetyl acetate 203.51
    di(2-ethylhexyl) phthalate 61.77
    ethyl propionate 255.23
    nitromethane 241.76
    1,2-diethoxyethane 386.19
    benzonitrile 158.26
    trioctyl phosphate 43.28
    1-bromopropane 346.8
    gamma-valerolactone 494.76
    n-decanol 46.87
    triethyl phosphate 95.02
    4-methyl-2-pentanol 115.38
    propionitrile 260.78
    vinylene carbonate 202.4
    1,1,2-trichlorotrifluoroethane 250.2
    DMS 180.83
    cumene 87.5
    2-octanol 41.25
    2-hexanone 223.34
    octyl acetate 80.24
    limonene 106.12
    1,2-dimethoxyethane 416.64
    ethyl orthosilicate 101.11
    tributyl phosphate 64.29
    diacetone alcohol 267.4
    N,N-dimethylaniline 168.0
    acrylonitrile 246.86
    aniline 198.46
    1,3-propanediol 151.41
    bromobenzene 248.84
    dibromomethane 403.89
    1,1,2,2-tetrachloroethane 581.56
    2-methyl-cyclohexyl acetate 160.32
    tetrabutyl urea 73.45
    diisobutyl methanol 89.39
    2-phenylethanol 177.78
    styrene 151.25
    dioctyl adipate 102.75
    dimethyl sulfate 146.27
    ethyl butyrate 238.66
    methyl lactate 124.97
    butyl lactate 92.81
    diethyl carbonate 151.87
    propanediol butyl ether 115.05
    triethyl orthoformate 155.26
    p-tert-butyltoluene 77.63
    methyl 4-tert-butylbenzoate 143.16
    morpholine 704.75
    tert-butylamine 177.3
    n-dodecanol 37.68
    dimethoxymethane 406.66
    ethylene carbonate 171.34
    cyrene 146.12
    2-ethoxyethyl acetate 198.73
    2-ethylhexyl acetate 219.85
    1,2,4-trichlorobenzene 216.06
    4-methylpyridine 368.75
    dibutyl ether 134.17
    2,6-dimethyl-4-heptanol 89.39
    DEF 349.17
    dimethyl isosorbide 335.6
    tetrachloroethylene 301.75
    eugenol 131.94
    triacetin 162.86
    span 80 131.28
    1,4-butanediol 55.98
    1,1-dichloroethane 449.4
    2-methyl-1-pentanol 131.61
    methyl formate 118.29
    2-methyl-1-butanol 157.57
    n-decane 14.27
    butyronitrile 258.78
    3,7-dimethyl-1-octanol 83.82
    1-chlorooctane 62.7
    1-chlorotetradecane 25.83
    n-nonane 14.36
    undecane 10.61
    tert-butylcyclohexane 38.7
    cyclooctane 21.71
    cyclopentanol 120.5
    tetrahydropyran 594.31
    tert-amyl methyl ether 251.58
    2,5,8-trioxanonane 289.02
    1-hexene 213.31
    2-isopropoxyethanol 185.84
    2,2,2-trifluoroethanol 42.35
    methyl butyrate 266.76

    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