Lilial

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  • Identifiers

    CAS number
    80-54-6

    Molecular formula
    C14H20O

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

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Floral 92.1%
    Green 76.41%
    Fresh 65.84%
    Lily 64.65%
    Muguet 62.39%
    Aldehydic 59.87%
    Ozone 47.64%
    Sweet 38.07%
    Melon 37.19%
    Woody 37.0%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point est.
    123.44 ˚C

  • Synonyms

    • 80-54-6
    • Lilial
    • 3-(4-(tert-Butyl)phenyl)-2-methylpropanal
    • lily aldehyde
    • 3-(4-tert-Butylphenyl)isobutyraldehyde
    • Lilestralis
    • 2-(4-tert-Butylbenzyl)propionaldehyde
    • Lilyal
    • 3-(4-tert-Butylphenyl)-2-methylpropanal
    • Butylphenyl methylpropional
    • Lilyaldehyde
    • 3-(4-tert-Butylphenyl)-2-methylpropionaldehyde
    • DTXSID9026500
    • Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-
    • MFCD00047655
    • NSC 22275
    • UNII-T7540GJV69
    • LILESTRAL
    • LYSMERAL
    • PT-BUCINAL
    • 4-tert-butyl-alpha-methylhydrocinnamaldehyde
    • .BETA.-LILIAL
    • EINECS 201-289-8
    • NSC-22275
    • BRN 0880140
    • AI3-36196
    • p-tert-Butyl-alpha-methylhydrocinnamaldehyde
    • DTXCID606500
    • 3-[4-(tert-butyl)phenyl]-2-methylpropanal
    • p-t-butyl-alpha-methylhydrocinnamic aldehyde
    • alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde
    • p-tert-Butyl-.alpha.-methylhydrocinnamaldehyde
    • EC 201-289-8
    • .alpha.-Methyl-p-(tert-butyl)hydrocinnamaldehyde
    • p-tert-Butyl-.alpha.-methylhydrocinnamic aldehyde
    • p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde
    • T7540GJV69
    • 4-07-00-00802 (Beilstein Handbook Reference)
    • Hydrocinnamaldehyde, p-tert-butyl-.alpha.-methyl-
    • alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde
    • Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-
    • Propanal, .alpha.-methyl-.beta.-(p-tert.-butylphenyl)-
    • Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-
    • 2-[(4-tert-Butylphenyl)methyl]propanal
    • .alpha.-Methyl, .beta.-(p-tert-butylphenyl)propionaldehyde
    • (+/-)-BUTYLPHENYL METHYLPROPIONAL
    • Propionaldehyde, .beta.-(4-tert-butylphenyl)-.alpha.-methyl-
    • p-t-Butyl-.alpha.-methylhydrocinnamaldehyde
    • 2(4-TERT-BUTYLBENZYL) PROPIONALDEHYDE
    • Benzenepropanal, 4-(tert-butyl)-alpha-methyl-
    • Benzenepropanal, 4-tert-butyl-.alpha.-methyl-
    • 4-tert-butyl-.alpha.-methyl hydrocinnamic aldehyde
    • HYDROCINNAMALDEHYDE, p-tert-BUTYL-alpha-METHYL-
    • .ALPHA.-METHYL-P-TERT-BUTYLHYDROCINNAMALDEHYDE
    • (+/-)-2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL
    • Benzenepropanal, 4-[1,1-dimethylethyl]-.alpha.-methyl-
    • 3-(p-tert-Butylphenyl)isobutylaldehyde
    • 2-((4-tert-Butylphenyl)methyl)propanal
    • CAS-80-54-6
    • liliale
    • 2-(4-tert-Butylbenzyl)propionaldehyde, analytical standard
    • BETA-LILIAL
    • NCGC00091024-01
    • p-t-Butyl-alpha-methylhydrocinnamaldehyde
    • Protectol PP (Lilial)
    • p-tert-Butyl-alpha-methylhydrocinnamic aldehyde
    • SCHEMBL81866
    • CHEMBL1496715
    • NSC22275
    • Tox21_201412
    • Tox21_303107
    • STK709232
    • WLN: VHY1&1R DX1&1&1
    • AKOS005522624
    • CGA 289273
    • CS-W015400
    • FB55115
    • HY-W014684
    • 4-tert-Butyl-a-methylhydrocinnamaldehyde
    • P-tert-butyl-a-methylhydrocinnamaldehyde
    • NCGC00091024-02
    • NCGC00091024-03
    • NCGC00257026-01
    • NCGC00258963-01
    • BUTYLPHENYL METHYLPROPIONAL [INCI]
    • DS-17933
    • SY051280
    • 2-methyl-3-(4-tert-butylphenyl) propanal
    • 2-methyl-3-(4-tert-butylphenyl)-propanal
    • 3-(p-tert.-butylphenyl)-2-methylpropanal
    • DB-056445
    • 3-(4-t-butylphenyl)-2-methylpropionaldehyde
    • 3-(4-tert-Butylphenyl)-2-methylpropanal #
    • 4-tert-Butyl-alpha-methyl-hydrocinnamaldehyde
    • B1145
    • Benzenepropanal, 4-tert-butyl-alpha-methyl-
    • NS00008232
    • p-tert.butyl-alpha-methyl-hydrocinnamaldehyde
    • 4-tert-Butyl-alpha-methyldihydrocinnamaldehyde
    • 2-(4-tert-Butylbenzyl)propionaldehyde, KOSHER
    • EN300-117673
    • 3-(p-tert.butylphenyl)-2-methyl-propionaldehyde
    • 4-tert-butyl-alpha-methyl hydrocinnamic aldehyde
    • Benzenepropanal,1-dimethylethyl)-.alpha.-methyl-
    • 3-(4-tert-butyl-phenyl)-2-methyl-propionaldehyde
    • 3-(p-tert.butyl-phenyl)-2-methyl-propionaldehyde
    • ALPHA-METHYL-P-TERT-BUTYLHYDROCINNAMALDEHYDE
    • Q209290
    • 3-(p-tert.-butyl-phenyl)-2-methyl-propionaldehyde
    • Propanal, alpha-methyl-beta-(p-tert.-butylphenyl)-
    • Z275122412
    • 3-(4-tert-Butylphenyl)isobutyraldehyde 1000 microg/mL in Acetonitrile

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 931.03
    methanol 658.72
    isopropanol 656.2
    water 0.25
    ethyl acetate 1435.5
    n-propanol 682.5
    acetone 918.07
    n-butanol 696.5
    acetonitrile 752.02
    DMF 956.9
    toluene 461.27
    isobutanol 447.89
    1,4-dioxane 1366.21
    methyl acetate 999.42
    THF 1569.56
    2-butanone 914.9
    n-pentanol 453.6
    sec-butanol 452.06
    n-hexane 201.78
    ethylene glycol 75.62
    NMP 505.54
    cyclohexane 140.06
    DMSO 328.62
    n-butyl acetate 1145.35
    n-octanol 203.5
    chloroform 1706.78
    n-propyl acetate 709.97
    acetic acid 336.07
    dichloromethane 1432.31
    cyclohexanone 941.83
    propylene glycol 185.79
    isopropyl acetate 864.53
    DMAc 781.05
    2-ethoxyethanol 612.36
    isopentanol 579.84
    n-heptane 113.96
    ethyl formate 537.19
    1,2-dichloroethane 1061.13
    n-hexanol 856.5
    2-methoxyethanol 932.02
    isobutyl acetate 519.39
    tetrachloromethane 219.62
    n-pentyl acetate 331.61
    transcutol 1978.46
    n-heptanol 238.01
    ethylbenzene 311.56
    MIBK 575.86
    2-propoxyethanol 1227.09
    tert-butanol 808.76
    MTBE 1144.8
    2-butoxyethanol 420.05
    propionic acid 372.59
    o-xylene 272.99
    formic acid 87.99
    diethyl ether 1327.1
    m-xylene 357.71
    p-xylene 351.79
    chlorobenzene 528.1
    dimethyl carbonate 285.93
    n-octane 44.59
    formamide 178.6
    cyclopentanone 954.49
    2-pentanone 932.25
    anisole 593.63
    cyclopentyl methyl ether 778.16
    gamma-butyrolactone 909.66
    1-methoxy-2-propanol 867.49
    pyridine 728.43
    3-pentanone 656.23
    furfural 721.2
    n-dodecane 27.51
    diethylene glycol 569.11
    diisopropyl ether 427.57
    tert-amyl alcohol 514.27
    acetylacetone 815.23
    n-hexadecane 31.4
    acetophenone 433.51
    methyl propionate 881.73
    isopentyl acetate 948.0
    trichloroethylene 1638.42
    n-nonanol 183.05
    cyclohexanol 412.38
    benzyl alcohol 357.3
    2-ethylhexanol 458.64
    isooctanol 207.4
    dipropyl ether 782.16
    1,2-dichlorobenzene 460.79
    ethyl lactate 269.36
    propylene carbonate 620.74
    n-methylformamide 438.71
    2-pentanol 480.72
    n-pentane 124.54
    1-propoxy-2-propanol 936.99
    1-methoxy-2-propyl acetate 1014.16
    2-(2-methoxypropoxy) propanol 411.89
    mesitylene 224.95
    ε-caprolactone 839.97
    p-cymene 202.7
    epichlorohydrin 1271.33
    1,1,1-trichloroethane 1015.38
    2-aminoethanol 247.56
    morpholine-4-carbaldehyde 967.55
    sulfolane 649.17
    2,2,4-trimethylpentane 61.98
    2-methyltetrahydrofuran 1069.27
    n-hexyl acetate 463.08
    isooctane 68.93
    2-(2-butoxyethoxy)ethanol 585.99
    sec-butyl acetate 557.22
    tert-butyl acetate 890.03
    decalin 95.37
    glycerin 184.38
    diglyme 1042.93
    acrylic acid 228.16
    isopropyl myristate 213.09
    n-butyric acid 737.35
    acetyl acetate 585.62
    di(2-ethylhexyl) phthalate 162.43
    ethyl propionate 642.76
    nitromethane 626.48
    1,2-diethoxyethane 1019.08
    benzonitrile 438.96
    trioctyl phosphate 118.51
    1-bromopropane 769.4
    gamma-valerolactone 1267.75
    n-decanol 144.76
    triethyl phosphate 229.79
    4-methyl-2-pentanol 335.72
    propionitrile 674.55
    vinylene carbonate 534.0
    1,1,2-trichlorotrifluoroethane 605.89
    DMS 414.16
    cumene 221.01
    2-octanol 144.0
    2-hexanone 619.5
    octyl acetate 239.32
    limonene 294.79
    1,2-dimethoxyethane 1055.37
    ethyl orthosilicate 254.14
    tributyl phosphate 175.1
    diacetone alcohol 690.79
    N,N-dimethylaniline 374.61
    acrylonitrile 603.71
    aniline 448.82
    1,3-propanediol 388.95
    bromobenzene 578.35
    dibromomethane 991.75
    1,1,2,2-tetrachloroethane 1282.89
    2-methyl-cyclohexyl acetate 433.42
    tetrabutyl urea 189.99
    diisobutyl methanol 256.6
    2-phenylethanol 476.06
    styrene 352.22
    dioctyl adipate 275.65
    dimethyl sulfate 277.63
    ethyl butyrate 760.08
    methyl lactate 295.51
    butyl lactate 260.65
    diethyl carbonate 432.95
    propanediol butyl ether 313.18
    triethyl orthoformate 430.23
    p-tert-butyltoluene 213.3
    methyl 4-tert-butylbenzoate 337.55
    morpholine 1492.18
    tert-butylamine 592.94
    n-dodecanol 116.39
    dimethoxymethane 876.94
    ethylene carbonate 484.44
    cyrene 310.72
    2-ethoxyethyl acetate 544.98
    2-ethylhexyl acetate 721.57
    1,2,4-trichlorobenzene 488.12
    4-methylpyridine 887.09
    dibutyl ether 425.81
    2,6-dimethyl-4-heptanol 256.6
    DEF 858.37
    dimethyl isosorbide 700.76
    tetrachloroethylene 700.28
    eugenol 314.1
    triacetin 388.84
    span 80 327.99
    1,4-butanediol 166.1
    1,1-dichloroethane 1203.73
    2-methyl-1-pentanol 398.37
    methyl formate 313.18
    2-methyl-1-butanol 447.76
    n-decane 50.65
    butyronitrile 817.89
    3,7-dimethyl-1-octanol 267.69
    1-chlorooctane 204.13
    1-chlorotetradecane 79.4
    n-nonane 52.44
    undecane 35.7
    tert-butylcyclohexane 109.58
    cyclooctane 58.73
    cyclopentanol 351.57
    tetrahydropyran 1331.5
    tert-amyl methyl ether 661.76
    2,5,8-trioxanonane 647.6
    1-hexene 592.74
    2-isopropoxyethanol 495.6
    2,2,2-trifluoroethanol 106.66
    methyl butyrate 743.85

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.04 %
Category 2
Products applied to the axillae
 0.09 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.04 %
Category 3
Products applied to the face/body using fingertips
 0.04 % Category 8
Products with significant anogenital exposure
 0.017 %
Category 4
Products related to fine fragrance
 1.4 % Category 9
Products with body and hand exposure, primarily rinse off
 0.1 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.06 % Category 10A
Household care products with mostly hand contact
 0.1 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.05 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.63 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.05 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.017 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.017 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.017 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 16 %