2-Phenyl-2-butenal

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    4411-89-6

    Molecular formula
    C10H10O

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

    Retention indicies (RI)

    • Carbowax: 1894.0

  • Odor profile

    Sweet 73.69%
    Floral 66.11%
    Spicy 57.84%
    Nutty 53.82%
    Cinnamon 51.88%
    Powdery 49.86%
    Honey 47.36%
    Almond 45.62%
    Balsamic 45.38%
    Cherry 42.07%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 84.00 °C. @ 0.10 mm Hg

    Flash point est.
    104.0 ˚C

  • Synonyms

    • 2-PHENYL-2-BUTENAL
    • (E)-2-phenylbut-2-enal
    • 2-Phenylbutenal
    • 2-Phenylcrotonaldehyde
    • 4411-89-6
    • alpha-Phenylcrotonaldehyde
    • (E)-2-Phenylcrotonaldehyde
    • 2-Phenyl-2-butenal, (2E)-
    • 2-Butenal, 2-phenyl
    • alpha-Ethylidenebenzeneacetaldehyde
    • FEMA No. 3224, E-
    • N8EMO6YRV9
    • 55088-52-3
    • 54075-09-1
    • 2-phenylbut-2-enal
    • 2-Phenyl-2-buten-1-al
    • UNII-N8EMO6YRV9
    • Crotonaldehyde, 2-phenyl-
    • UNII-E8991Q8HSC
    • FEMA No. 3224
    • Phenylcrotonaldehyd
    • 2-Phenyl-2-butenal, (E)+(Z)
    • EINECS 224-567-0
    • MFCD00053158
    • 2-Phenyl-Crotonaldehyde
    • Benzeneacetaldehyde, alpha-ethylidene-, (E)-
    • (2e)-2-phenyl-2-butenal
    • (2E)-2-phenylbut-2-enal
    • Benzeneacetaldehyde, alpha-ethylidene-, (alphaE)-
    • SCHEMBL950633
    • a-Ethylidene-Benzeneacetaldehyde
    • E8991Q8HSC
    • CHEBI:89904
    • FEMA 3224
    • 2-Phenyl-2-butenal,(E)+(Z)
    • alpha -ethylidenbenzeneacetaldehyde
    • DYAOGZLLMZQVHY-MBXJOHMKSA-N
    • alpha-Ethylidene-Benzeneacetaldehyde
    • alpha -ethylidene-phenylacetaldehyde
    • a-Ethylidenebenzeneacetaldehyde, 9CI
    • EINECS 259-476-5
    • alpha -ethylidene benzene acetaldehyde
    • AKOS025396900
    • 2-Phenylacetaldehyde, alpha -ethylidene
    • NS00049278
    • Q27162088
    • BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-, (E)-
    • BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-, (.ALPHA.E)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 820.86
    methanol 512.56
    isopropanol 534.65
    water 4.38
    ethyl acetate 1053.36
    n-propanol 655.04
    acetone 1653.53
    n-butanol 557.84
    acetonitrile 2118.89
    DMF 2589.83
    toluene 613.38
    isobutanol 433.07
    1,4-dioxane 1662.0
    methyl acetate 1246.28
    THF 1546.77
    2-butanone 1292.64
    n-pentanol 311.49
    sec-butanol 426.59
    n-hexane 95.28
    ethylene glycol 198.46
    NMP 1669.67
    cyclohexane 257.69
    DMSO 1845.66
    n-butyl acetate 688.2
    n-octanol 271.07
    chloroform 4042.97
    n-propyl acetate 670.3
    acetic acid 711.61
    dichloromethane 5540.51
    cyclohexanone 2042.5
    propylene glycol 163.39
    isopropyl acetate 427.71
    DMAc 1108.32
    2-ethoxyethanol 411.96
    isopentanol 321.21
    n-heptane 125.92
    ethyl formate 1069.3
    1,2-dichloroethane 3205.22
    n-hexanol 416.63
    2-methoxyethanol 770.86
    isobutyl acetate 300.47
    tetrachloromethane 631.39
    n-pentyl acetate 374.36
    transcutol 1168.63
    n-heptanol 226.91
    ethylbenzene 325.15
    MIBK 410.52
    2-propoxyethanol 544.8
    tert-butanol 433.86
    MTBE 375.37
    2-butoxyethanol 325.9
    propionic acid 754.77
    o-xylene 342.95
    formic acid 193.73
    diethyl ether 749.53
    m-xylene 351.61
    p-xylene 373.12
    chlorobenzene 1125.82
    dimethyl carbonate 487.72
    n-octane 64.61
    formamide 626.69
    cyclopentanone 2132.86
    2-pentanone 950.22
    anisole 589.55
    cyclopentyl methyl ether 725.68
    gamma-butyrolactone 2342.67
    1-methoxy-2-propanol 511.08
    pyridine 1972.03
    3-pentanone 774.52
    furfural 1569.1
    n-dodecane 46.68
    diethylene glycol 385.79
    diisopropyl ether 174.33
    tert-amyl alcohol 329.3
    acetylacetone 833.46
    n-hexadecane 54.75
    acetophenone 566.31
    methyl propionate 891.91
    isopentyl acetate 461.57
    trichloroethylene 4714.49
    n-nonanol 218.66
    cyclohexanol 518.27
    benzyl alcohol 391.35
    2-ethylhexanol 267.43
    isooctanol 172.56
    dipropyl ether 440.27
    1,2-dichlorobenzene 930.36
    ethyl lactate 246.19
    propylene carbonate 1221.6
    n-methylformamide 1488.67
    2-pentanol 308.83
    n-pentane 114.94
    1-propoxy-2-propanol 423.69
    1-methoxy-2-propyl acetate 468.4
    2-(2-methoxypropoxy) propanol 291.14
    mesitylene 227.04
    ε-caprolactone 1291.86
    p-cymene 196.79
    epichlorohydrin 2461.66
    1,1,1-trichloroethane 2181.37
    2-aminoethanol 313.71
    morpholine-4-carbaldehyde 1264.17
    sulfolane 2036.58
    2,2,4-trimethylpentane 37.75
    2-methyltetrahydrofuran 1178.04
    n-hexyl acetate 534.33
    isooctane 39.64
    2-(2-butoxyethoxy)ethanol 404.39
    sec-butyl acetate 310.14
    tert-butyl acetate 363.54
    decalin 91.5
    glycerin 216.66
    diglyme 948.39
    acrylic acid 690.33
    isopropyl myristate 219.09
    n-butyric acid 837.73
    acetyl acetate 537.57
    di(2-ethylhexyl) phthalate 152.66
    ethyl propionate 551.73
    nitromethane 2050.88
    1,2-diethoxyethane 543.37
    benzonitrile 868.45
    trioctyl phosphate 130.57
    1-bromopropane 1344.34
    gamma-valerolactone 1795.84
    n-decanol 170.6
    triethyl phosphate 209.39
    4-methyl-2-pentanol 145.31
    propionitrile 1406.92
    vinylene carbonate 1188.66
    1,1,2-trichlorotrifluoroethane 946.06
    DMS 459.24
    cumene 194.66
    2-octanol 174.7
    2-hexanone 588.97
    octyl acetate 277.01
    limonene 288.84
    1,2-dimethoxyethane 1011.61
    ethyl orthosilicate 181.21
    tributyl phosphate 161.06
    diacetone alcohol 415.09
    N,N-dimethylaniline 349.6
    acrylonitrile 1829.97
    aniline 602.45
    1,3-propanediol 441.86
    bromobenzene 1273.15
    dibromomethane 3363.41
    1,1,2,2-tetrachloroethane 2807.6
    2-methyl-cyclohexyl acetate 294.7
    tetrabutyl urea 245.02
    diisobutyl methanol 155.31
    2-phenylethanol 365.69
    styrene 455.43
    dioctyl adipate 281.38
    dimethyl sulfate 638.58
    ethyl butyrate 558.65
    methyl lactate 340.87
    butyl lactate 238.91
    diethyl carbonate 391.58
    propanediol butyl ether 264.46
    triethyl orthoformate 291.69
    p-tert-butyltoluene 174.02
    methyl 4-tert-butylbenzoate 379.65
    morpholine 1585.29
    tert-butylamine 284.4
    n-dodecanol 140.34
    dimethoxymethane 1018.91
    ethylene carbonate 1021.83
    cyrene 292.7
    2-ethoxyethyl acetate 441.02
    2-ethylhexyl acetate 359.09
    1,2,4-trichlorobenzene 903.96
    4-methylpyridine 1486.34
    dibutyl ether 375.36
    2,6-dimethyl-4-heptanol 155.31
    DEF 1022.61
    dimethyl isosorbide 537.14
    tetrachloroethylene 1831.01
    eugenol 330.54
    triacetin 405.38
    span 80 257.13
    1,4-butanediol 170.53
    1,1-dichloroethane 2758.36
    2-methyl-1-pentanol 232.22
    methyl formate 1176.46
    2-methyl-1-butanol 340.19
    n-decane 76.87
    butyronitrile 1208.69
    3,7-dimethyl-1-octanol 204.91
    1-chlorooctane 286.15
    1-chlorotetradecane 119.2
    n-nonane 86.91
    undecane 58.28
    tert-butylcyclohexane 70.04
    cyclooctane 78.77
    cyclopentanol 666.27
    tetrahydropyran 1547.51
    tert-amyl methyl ether 259.34
    2,5,8-trioxanonane 571.42
    1-hexene 303.51
    2-isopropoxyethanol 276.27
    2,2,2-trifluoroethanol 332.2
    methyl butyrate 860.9

    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
Amomum tsao-ko (Vietnam) Amomum tsao-ko Crevost et Lemarie, fam. Zingiberaceae 4.4%
Amomum tsao-ko (China) 2 Amomum tsao-ko Crevost et Lemiare, fam. Zingiberaceae 0.91%