Lilac acetaldehyde

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  • Identifiers

    CAS number
    104-09-6

    Molecular formula
    C9H10O

    SMILES
    CC1=CC=C(C=C1)CC=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 79.89%
    Sweet 75.16%
    Floral 65.87%
    Fruity 60.7%
    Almond 54.14%
    Hyacinth 51.45%
    Cherry 47.91%
    Honey 47.27%
    Powdery 45.51%
    Fresh 41.15%

     

    Flavor
    Sweet 72.61%
    Bitter 62.42%
    Floral 59.75%
    Green 51.05%
    Hyacinth 45.21%
    Cherry 42.61%
    Almond 42.29%
    Spicy 41.32%
    Honey 40.11%
    Cinnamon 40.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.41 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 40 °C

    Boiling point

    • 221.00 to 222.00 °C. @ 760.00 mm Hg

    Flash point

    • 85.63 ˚C est.

    Solubility expt.

    • 1162 mg/L @ 20 °C (exp)
    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 104-09-6
    • 2-(4-methylphenyl)acetaldehyde
    • (4-Methylphenyl)acetaldehyde
    • p-Tolylacetaldehyde
    • P-METHYLPHENYLACETALDEHYDE
    • BENZENEACETALDEHYDE, 4-METHYL-
    • Lilac acetaldehyde
    • 4-Methylbenzeneacetaldehyde
    • 2-(p-tolyl)acetaldehyde
    • Acetaldehyde, p-tolyl-
    • FEMA No. 3071
    • p-Tolyl-acetaldehyde
    • Methylphenylacetaldehyde, p-
    • EINECS 203-173-2
    • 7L6760H4LH
    • DTXSID0051524
    • P-TOLYLACETALDEHYDE [FHFI]
    • (4-Methylphenyl)acetaldehyde; 2-(4-Methylphenyl)acetaldehyde; p-Methylphenylacetaldehyde; p-Toluacetaldehyde; p-Tolylacetaldehyde
    • p-TOLYLACTALDEHYDE
    • UNII-7L6760H4LH
    • p-methylphenylacetaldehyd
    • 4-methylphenylacetaldehyde
    • p-Tolylacetaldehyde, 8CI
    • 4-Methylbenzene acetaldehyde
    • SCHEMBL29443
    • (4-methyl-phenyl)-acetaldehyde
    • (4-Methylphenyl)acetaldehyde #
    • DTXCID6030073
    • FEMA 3071
    • 4-Methylbenzeneacetaldehyde, 9CI
    • CHEBI:178623
    • 4-METHYL-BENZENEACETALDEHYDE
    • AAA10409
    • AKOS010077637
    • AB02059
    • BS-41692
    • DB-040512
    • CS-0019984
    • NS00013195
    • EN300-248582
    • W16820
    • Q27268501
    • Z993017610
    • 203-173-2

  • Applications

    Lilac acetaldehyde (CAS 104-09-6) is primarily employed in the fragrance and cosmetic industries as a lilac-oriented odorant and fragrance ingredient, and serves as a chemical intermediate for the synthesis of more complex aroma compounds. In cosmetics/personal care, it provides a lilac note in formulations; in perfumery and fragrances it functions as a scent component and may be used as a fixative or blending aid in certain blends. It may also find use in household products such as air fresheners and scented cleaners to impart a floral lilac note. In industrial manufacturing, it can be used as an intermediate for producing fragrance-related chemicals and aroma compounds. In coatings/inks, it may be incorporated as a fragrance additive or aroma-bearing compound for surface finishes. In polymers/plastics, it may serve as a fragrance precursor or be used in aroma-bearing polymer formulations. Applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 526.79
    methanol 421.06
    isopropanol 333.6
    water 1.64
    ethyl acetate 719.12
    n-propanol 440.67
    acetone 1192.19
    n-butanol 318.78
    acetonitrile 835.24
    DMF 1142.18
    toluene 245.2
    isobutanol 277.64
    1,4-dioxane 834.48
    methyl acetate 1018.37
    THF 774.01
    2-butanone 1141.21
    n-pentanol 225.1
    sec-butanol 328.73
    n-hexane 49.24
    ethylene glycol 170.3
    NMP 964.5
    cyclohexane 35.03
    DMSO 1620.94
    n-butyl acetate 404.06
    n-octanol 105.19
    chloroform 1269.6
    n-propyl acetate 427.14
    acetic acid 434.39
    dichloromethane 1306.03
    cyclohexanone 800.02
    propylene glycol 222.14
    isopropyl acetate 279.9
    DMAc 833.71
    2-ethoxyethanol 433.69
    isopentanol 258.67
    n-heptane 23.62
    ethyl formate 422.4
    1,2-dichloroethane 1094.53
    n-hexanol 257.03
    2-methoxyethanol 648.61
    isobutyl acetate 199.84
    tetrachloromethane 200.59
    n-pentyl acetate 158.25
    transcutol 1629.08
    n-heptanol 97.27
    ethylbenzene 185.06
    MIBK 254.36
    2-propoxyethanol 470.73
    tert-butanol 380.53
    MTBE 361.12
    2-butoxyethanol 229.71
    propionic acid 604.55
    o-xylene 174.2
    formic acid 203.72
    diethyl ether 452.72
    m-xylene 162.67
    p-xylene 207.28
    chlorobenzene 423.39
    dimethyl carbonate 296.61
    n-octane 7.99
    formamide 476.87
    cyclopentanone 1085.15
    2-pentanone 593.99
    anisole 459.92
    cyclopentyl methyl ether 408.02
    gamma-butyrolactone 1265.72
    1-methoxy-2-propanol 483.02
    pyridine 796.75
    3-pentanone 557.07
    furfural 959.35
    n-dodecane 5.26
    diethylene glycol 358.5
    diisopropyl ether 98.82
    tert-amyl alcohol 334.64
    acetylacetone 605.66
    n-hexadecane 6.26
    acetophenone 384.66
    methyl propionate 676.67
    isopentyl acetate 308.59
    trichloroethylene 1892.67
    n-nonanol 87.18
    cyclohexanol 239.67
    benzyl alcohol 272.81
    2-ethylhexanol 159.44
    isooctanol 84.93
    dipropyl ether 201.04
    1,2-dichlorobenzene 386.21
    ethyl lactate 182.09
    propylene carbonate 576.67
    n-methylformamide 817.82
    2-pentanol 213.45
    n-pentane 27.19
    1-propoxy-2-propanol 327.46
    1-methoxy-2-propyl acetate 388.27
    2-(2-methoxypropoxy) propanol 269.77
    mesitylene 90.6
    ε-caprolactone 617.58
    p-cymene 82.35
    epichlorohydrin 1457.62
    1,1,1-trichloroethane 859.87
    2-aminoethanol 320.2
    morpholine-4-carbaldehyde 847.77
    sulfolane 1362.32
    2,2,4-trimethylpentane 16.97
    2-methyltetrahydrofuran 730.57
    n-hexyl acetate 258.34
    isooctane 13.2
    2-(2-butoxyethoxy)ethanol 376.45
    sec-butyl acetate 224.59
    tert-butyl acetate 291.55
    decalin 31.63
    glycerin 274.01
    diglyme 731.97
    acrylic acid 515.61
    isopropyl myristate 83.33
    n-butyric acid 479.05
    acetyl acetate 324.37
    di(2-ethylhexyl) phthalate 87.15
    ethyl propionate 392.61
    nitromethane 1370.07
    1,2-diethoxyethane 383.19
    benzonitrile 386.63
    trioctyl phosphate 59.38
    1-bromopropane 453.81
    gamma-valerolactone 1149.09
    n-decanol 63.45
    triethyl phosphate 122.99
    4-methyl-2-pentanol 113.35
    propionitrile 561.52
    vinylene carbonate 506.32
    1,1,2-trichlorotrifluoroethane 821.69
    DMS 329.84
    cumene 111.2
    2-octanol 64.28
    2-hexanone 466.35
    octyl acetate 109.16
    limonene 108.91
    1,2-dimethoxyethane 680.5
    ethyl orthosilicate 114.49
    tributyl phosphate 87.46
    diacetone alcohol 393.73
    N,N-dimethylaniline 245.41
    acrylonitrile 776.38
    aniline 395.51
    1,3-propanediol 346.46
    bromobenzene 416.22
    dibromomethane 803.3
    1,1,2,2-tetrachloroethane 1346.97
    2-methyl-cyclohexyl acetate 189.35
    tetrabutyl urea 113.91
    diisobutyl methanol 88.19
    2-phenylethanol 262.26
    styrene 238.02
    dioctyl adipate 143.65
    dimethyl sulfate 486.34
    ethyl butyrate 274.19
    methyl lactate 266.73
    butyl lactate 156.2
    diethyl carbonate 197.87
    propanediol butyl ether 245.62
    triethyl orthoformate 164.76
    p-tert-butyltoluene 77.03
    methyl 4-tert-butylbenzoate 220.77
    morpholine 977.16
    tert-butylamine 218.29
    n-dodecanol 46.18
    dimethoxymethane 508.93
    ethylene carbonate 379.12
    cyrene 260.49
    2-ethoxyethyl acetate 288.65
    2-ethylhexyl acetate 242.89
    1,2,4-trichlorobenzene 491.36
    4-methylpyridine 699.55
    dibutyl ether 148.38
    2,6-dimethyl-4-heptanol 88.19
    DEF 589.67
    dimethyl isosorbide 449.95
    tetrachloroethylene 803.9
    eugenol 226.63
    triacetin 276.12
    span 80 196.27
    1,4-butanediol 151.4
    1,1-dichloroethane 942.3
    2-methyl-1-pentanol 211.79
    methyl formate 591.4
    2-methyl-1-butanol 270.28
    n-decane 9.74
    butyronitrile 394.49
    3,7-dimethyl-1-octanol 128.95
    1-chlorooctane 70.99
    1-chlorotetradecane 22.72
    n-nonane 10.34
    undecane 6.94
    tert-butylcyclohexane 32.75
    cyclooctane 14.89
    cyclopentanol 298.64
    tetrahydropyran 633.22
    tert-amyl methyl ether 260.65
    2,5,8-trioxanonane 454.66
    1-hexene 200.15
    2-isopropoxyethanol 301.11
    2,2,2-trifluoroethanol 221.96
    methyl butyrate 499.44

    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
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%