Cuminyl acetaldehyde

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  • Identifiers

    CAS number
    7775-00-0

    Molecular formula
    C12H16O

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 89.11%
    Floral 82.17%
    Fresh 68.18%
    Aldehydic 57.81%
    Sweet 50.04%
    Lily 45.99%
    Muguet 43.41%
    Melon 43.29%
    Cortex 40.42%
    Fruity 40.17%

     

    Flavor
    Green 87.41%
    Fresh 66.49%
    Herbal 52.43%
    Floral 49.99%
    Spicy 47.07%
    Leaf 43.51%
    Fatty 37.86%
    Oily 35.43%
    Hyacinth 32.37%
    Musty 32.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.22 (neutral)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 117.59 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • 7775-00-0
    • Cuminyl acetaldehyde
    • Benzenepropanal, 4-(1-methylethyl)-
    • 3-(4-isopropylphenyl)propanal
    • 3-(p-Cumenyl)propionaldehyde
    • Cuminacetaldehyde
    • 3-(4-propan-2-ylphenyl)propanal
    • Cymylpropanal, p-
    • 3-p-Cumenylpropionaldehyde
    • 3-(p-Isopropylphenyl)propionaldehyde
    • FEMA No. 2957
    • Propionaldehyde, 3-P-cumenyl-
    • Isopropylhydrocinnamaldehyde, p-
    • WSW8QXE6HG
    • 4-(1-Methylethyl)benzenepropanal
    • Hydrocinnamaldehyde, p-isopropyl-
    • 3-(p-Isopropylphenyl)propionaldeyde
    • CYCLEMAX
    • 3-[4-(PROPAN-2-YL)PHENYL]PROPANAL
    • 3-(4-isopropylphenyl)propionaldehyde
    • EINECS 231-885-3
    • p-Isopropylhydrocinnamaldehyde
    • DTXSID6074883
    • 3-(P-ISOPROPYLPHENYL)-PROPIONALDEHYDE [FHFI]
    • UNII-WSW8QXE6HG
    • p-Cymylpropanal
    • 3-(4-ISOPROPYL-PHENYL)-PROPIONALDEHYDE
    • 3-p-cumenyl-propionaldehyde
    • SCHEMBL933030
    • p-Isopropyl-Hydrocinnamaldehyde
    • 3-(4-isopropylphenyl)-propanal
    • DTXCID6047995
    • DTXSID2051681
    • FEMA 2957
    • CHEBI:173484
    • 4-(1-methylethyl)-benzenepropanal
    • 3-(p-isopropylphenyl)-propionaldehyde
    • 4-(1-Methylethyl)benzenepropanal, 9CI
    • DB-365525
    • NS00012142
    • EN300-1858485
    • Q27292810

  • Applications

    Cuminyl acetaldehyde (CAS 7775-00-0) is used primarily as an aroma compound in perfumery, delivering cumin-like notes; it is evaluated for use in flavor formulations to reproduce savory cumin profiles; it finds applications in cosmetics and personal care as a fragrance ingredient; in household products such as air fresheners and cleaners as a fragrance additive; in industrial manufacturing as an intermediate building block for aroma chemistry and related fragrance/flavor syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1451.81
    methanol 1267.61
    isopropanol 815.81
    water 0.19
    ethyl acetate 2168.84
    n-propanol 1001.72
    acetone 1377.87
    n-butanol 840.74
    acetonitrile 1565.44
    DMF 1048.25
    toluene 591.14
    isobutanol 495.32
    1,4-dioxane 2572.36
    methyl acetate 1320.3
    THF 1601.48
    2-butanone 1256.82
    n-pentanol 484.98
    sec-butanol 449.32
    n-hexane 84.88
    ethylene glycol 101.43
    NMP 411.11
    cyclohexane 112.69
    DMSO 751.44
    n-butyl acetate 1069.88
    n-octanol 90.67
    chloroform 2449.25
    n-propyl acetate 830.38
    acetic acid 457.19
    dichloromethane 2742.27
    cyclohexanone 1208.08
    propylene glycol 170.07
    isopropyl acetate 866.74
    DMAc 656.81
    2-ethoxyethanol 748.95
    isopentanol 549.39
    n-heptane 41.35
    ethyl formate 667.72
    1,2-dichloroethane 2140.59
    n-hexanol 608.93
    2-methoxyethanol 1263.41
    isobutyl acetate 430.29
    tetrachloromethane 244.97
    n-pentyl acetate 258.24
    transcutol 2349.03
    n-heptanol 120.79
    ethylbenzene 229.9
    MIBK 465.66
    2-propoxyethanol 1021.97
    tert-butanol 795.52
    MTBE 1009.72
    2-butoxyethanol 292.56
    propionic acid 487.8
    o-xylene 205.42
    formic acid 118.55
    diethyl ether 2222.38
    m-xylene 285.08
    p-xylene 233.94
    chlorobenzene 624.33
    dimethyl carbonate 236.01
    n-octane 14.0
    formamide 292.88
    cyclopentanone 1037.77
    2-pentanone 1123.96
    anisole 522.04
    cyclopentyl methyl ether 711.41
    gamma-butyrolactone 1014.13
    1-methoxy-2-propanol 789.97
    pyridine 1462.18
    3-pentanone 778.83
    furfural 802.28
    n-dodecane 9.75
    diethylene glycol 479.85
    diisopropyl ether 298.77
    tert-amyl alcohol 414.08
    acetylacetone 839.91
    n-hexadecane 11.52
    acetophenone 351.72
    methyl propionate 1048.78
    isopentyl acetate 738.73
    trichloroethylene 2723.44
    n-nonanol 87.36
    cyclohexanol 456.59
    benzyl alcohol 344.93
    2-ethylhexanol 278.26
    isooctanol 99.66
    dipropyl ether 619.25
    1,2-dichlorobenzene 447.69
    ethyl lactate 174.9
    propylene carbonate 564.83
    n-methylformamide 611.23
    2-pentanol 440.36
    n-pentane 63.52
    1-propoxy-2-propanol 628.02
    1-methoxy-2-propyl acetate 836.54
    2-(2-methoxypropoxy) propanol 276.46
    mesitylene 140.63
    ε-caprolactone 942.73
    p-cymene 107.25
    epichlorohydrin 1855.02
    1,1,1-trichloroethane 1244.21
    2-aminoethanol 320.28
    morpholine-4-carbaldehyde 921.87
    sulfolane 725.32
    2,2,4-trimethylpentane 26.33
    2-methyltetrahydrofuran 1227.79
    n-hexyl acetate 296.98
    isooctane 24.96
    2-(2-butoxyethoxy)ethanol 408.67
    sec-butyl acetate 483.19
    tert-butyl acetate 688.7
    decalin 50.48
    glycerin 176.88
    diglyme 974.07
    acrylic acid 293.42
    isopropyl myristate 119.17
    n-butyric acid 886.21
    acetyl acetate 642.37
    di(2-ethylhexyl) phthalate 102.38
    ethyl propionate 668.0
    nitromethane 999.44
    1,2-diethoxyethane 1160.57
    benzonitrile 471.23
    trioctyl phosphate 65.11
    1-bromopropane 1187.13
    gamma-valerolactone 1456.84
    n-decanol 66.09
    triethyl phosphate 163.88
    4-methyl-2-pentanol 202.55
    propionitrile 1036.82
    vinylene carbonate 509.4
    1,1,2-trichlorotrifluoroethane 639.91
    DMS 339.97
    cumene 127.73
    2-octanol 67.8
    2-hexanone 686.09
    octyl acetate 131.28
    limonene 169.11
    1,2-dimethoxyethane 1449.49
    ethyl orthosilicate 177.14
    tributyl phosphate 101.82
    diacetone alcohol 505.63
    N,N-dimethylaniline 243.73
    acrylonitrile 971.07
    aniline 556.15
    1,3-propanediol 536.74
    bromobenzene 656.65
    dibromomethane 1779.08
    1,1,2,2-tetrachloroethane 1819.04
    2-methyl-cyclohexyl acetate 291.1
    tetrabutyl urea 115.72
    diisobutyl methanol 148.29
    2-phenylethanol 357.22
    styrene 339.89
    dioctyl adipate 173.11
    dimethyl sulfate 245.24
    ethyl butyrate 636.94
    methyl lactate 199.61
    butyl lactate 169.07
    diethyl carbonate 349.54
    propanediol butyl ether 179.77
    triethyl orthoformate 336.35
    p-tert-butyltoluene 105.48
    methyl 4-tert-butylbenzoate 198.23
    morpholine 2878.7
    tert-butylamine 498.74
    n-dodecanol 51.25
    dimethoxymethane 1074.8
    ethylene carbonate 492.72
    cyrene 209.03
    2-ethoxyethyl acetate 492.09
    2-ethylhexyl acetate 548.11
    1,2,4-trichlorobenzene 481.64
    4-methylpyridine 1289.17
    dibutyl ether 295.84
    2,6-dimethyl-4-heptanol 148.29
    DEF 1076.58
    dimethyl isosorbide 499.72
    tetrachloroethylene 1128.16
    eugenol 203.62
    triacetin 276.41
    span 80 197.58
    1,4-butanediol 165.81
    1,1-dichloroethane 1829.29
    2-methyl-1-pentanol 346.89
    methyl formate 377.12
    2-methyl-1-butanol 450.22
    n-decane 17.72
    butyronitrile 1023.17
    3,7-dimethyl-1-octanol 132.97
    1-chlorooctane 94.74
    1-chlorotetradecane 35.69
    n-nonane 16.88
    undecane 12.54
    tert-butylcyclohexane 48.5
    cyclooctane 30.71
    cyclopentanol 335.69
    tetrahydropyran 2178.03
    tert-amyl methyl ether 500.83
    2,5,8-trioxanonane 536.94
    1-hexene 513.34
    2-isopropoxyethanol 464.89
    2,2,2-trifluoroethanol 114.1
    methyl butyrate 900.26

    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