2-Butenoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester, (2E)-

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  • Identifiers

    CAS number
    61792-12-9

    Molecular formula
    C14H16O2

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

  • Odor profile

    Sweet 76.45%
    Green 76.14%
    Balsamic 75.45%
    Floral 74.93%
    Herbal 70.8%
    Spicy 58.39%
    Woody 55.13%
    Cinnamon 48.51%
    Fruity 43.39%
    Warm 39.4%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    216.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point est.
    147.0 ˚C

  • Synonyms

    • Cinnamyl tiglate
    • Cinnamyl 2-methylcrotonate
    • [(E)-3-phenylprop-2-enyl] (E)-2-methylbut-2-enoate
    • (E)-Cinnamyl 2-methylisocrotonate
    • EINECS 263-215-0
    • EINECS 282-533-0
    • 61792-12-9
    • 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (E,?)-
    • 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester, (2E)-
    • trans-Cinnamyl tiglate
    • 84254-87-5
    • ((E)-3-phenylprop-2-enyl) (E)-2-methylbut-2-enoate
    • 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (2E)-
    • (E)-Cinnamyl tiglate
    • SCHEMBL873963
    • SCHEMBL873965
    • NS00012102
    • (2E)-3-Phenyl-2-propenyl (2E)-2-methyl-2-butenoate
    • 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (E,E)-
    • 263-215-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 388.72
    methanol 452.56
    isopropanol 244.74
    water 0.26
    ethyl acetate 1094.47
    n-propanol 323.0
    acetone 779.71
    n-butanol 296.95
    acetonitrile 912.16
    DMF 726.18
    toluene 521.21
    isobutanol 233.73
    1,4-dioxane 947.26
    methyl acetate 829.67
    THF 899.27
    2-butanone 897.24
    n-pentanol 268.01
    sec-butanol 354.95
    n-hexane 68.99
    ethylene glycol 31.32
    NMP 483.9
    cyclohexane 81.74
    DMSO 675.34
    n-butyl acetate 574.9
    n-octanol 127.81
    chloroform 2653.02
    n-propyl acetate 642.92
    acetic acid 396.05
    dichloromethane 3319.89
    cyclohexanone 847.95
    propylene glycol 67.11
    isopropyl acetate 488.86
    DMAc 759.93
    2-ethoxyethanol 455.48
    isopentanol 289.02
    n-heptane 28.92
    ethyl formate 378.12
    1,2-dichloroethane 2023.48
    n-hexanol 233.7
    2-methoxyethanol 460.14
    isobutyl acetate 339.64
    tetrachloromethane 215.56
    n-pentyl acetate 306.92
    transcutol 1934.22
    n-heptanol 129.37
    ethylbenzene 289.54
    MIBK 382.45
    2-propoxyethanol 383.19
    tert-butanol 380.16
    MTBE 579.58
    2-butoxyethanol 266.0
    propionic acid 325.11
    o-xylene 254.18
    formic acid 101.54
    diethyl ether 945.41
    m-xylene 264.49
    p-xylene 325.12
    chlorobenzene 652.83
    dimethyl carbonate 274.09
    n-octane 17.07
    formamide 288.02
    cyclopentanone 888.0
    2-pentanone 698.4
    anisole 600.68
    cyclopentyl methyl ether 459.24
    gamma-butyrolactone 925.4
    1-methoxy-2-propanol 352.0
    pyridine 1074.19
    3-pentanone 614.24
    furfural 754.09
    n-dodecane 13.97
    diethylene glycol 200.3
    diisopropyl ether 192.27
    tert-amyl alcohol 431.07
    acetylacetone 669.21
    n-hexadecane 16.49
    acetophenone 509.48
    methyl propionate 651.15
    isopentyl acetate 470.14
    trichloroethylene 3259.15
    n-nonanol 121.69
    cyclohexanol 267.99
    benzyl alcohol 317.07
    2-ethylhexanol 169.64
    isooctanol 119.64
    dipropyl ether 266.81
    1,2-dichlorobenzene 585.75
    ethyl lactate 179.9
    propylene carbonate 485.14
    n-methylformamide 395.51
    2-pentanol 271.61
    n-pentane 43.14
    1-propoxy-2-propanol 295.21
    1-methoxy-2-propyl acetate 420.07
    2-(2-methoxypropoxy) propanol 298.91
    mesitylene 153.29
    ε-caprolactone 713.32
    p-cymene 112.62
    epichlorohydrin 1477.26
    1,1,1-trichloroethane 1227.52
    2-aminoethanol 107.9
    morpholine-4-carbaldehyde 572.93
    sulfolane 816.67
    2,2,4-trimethylpentane 33.78
    2-methyltetrahydrofuran 693.56
    n-hexyl acetate 399.34
    isooctane 26.89
    2-(2-butoxyethoxy)ethanol 430.29
    sec-butyl acetate 419.55
    tert-butyl acetate 469.94
    decalin 56.79
    glycerin 84.49
    diglyme 874.91
    acrylic acid 270.78
    isopropyl myristate 145.61
    n-butyric acid 463.21
    acetyl acetate 481.37
    di(2-ethylhexyl) phthalate 121.5
    ethyl propionate 540.51
    nitromethane 1001.44
    1,2-diethoxyethane 744.77
    benzonitrile 471.2
    trioctyl phosphate 81.21
    1-bromopropane 962.95
    gamma-valerolactone 854.37
    n-decanol 88.17
    triethyl phosphate 165.7
    4-methyl-2-pentanol 153.17
    propionitrile 657.33
    vinylene carbonate 492.45
    1,1,2-trichlorotrifluoroethane 585.5
    DMS 369.37
    cumene 168.39
    2-octanol 103.69
    2-hexanone 549.4
    octyl acetate 183.43
    limonene 150.1
    1,2-dimethoxyethane 767.25
    ethyl orthosilicate 163.29
    tributyl phosphate 122.73
    diacetone alcohol 373.53
    N,N-dimethylaniline 312.61
    acrylonitrile 777.64
    aniline 413.44
    1,3-propanediol 183.12
    bromobenzene 789.85
    dibromomethane 1998.03
    1,1,2,2-tetrachloroethane 2121.44
    2-methyl-cyclohexyl acetate 271.83
    tetrabutyl urea 148.6
    diisobutyl methanol 103.11
    2-phenylethanol 270.97
    styrene 409.24
    dioctyl adipate 208.48
    dimethyl sulfate 356.01
    ethyl butyrate 430.23
    methyl lactate 166.53
    butyl lactate 204.21
    diethyl carbonate 289.86
    propanediol butyl ether 212.46
    triethyl orthoformate 245.32
    p-tert-butyltoluene 100.66
    methyl 4-tert-butylbenzoate 287.03
    morpholine 882.6
    tert-butylamine 257.07
    n-dodecanol 67.57
    dimethoxymethane 629.1
    ethylene carbonate 399.72
    cyrene 242.35
    2-ethoxyethyl acetate 469.66
    2-ethylhexyl acetate 363.68
    1,2,4-trichlorobenzene 599.69
    4-methylpyridine 948.08
    dibutyl ether 279.25
    2,6-dimethyl-4-heptanol 103.11
    DEF 682.05
    dimethyl isosorbide 499.84
    tetrachloroethylene 1169.62
    eugenol 296.04
    triacetin 359.27
    span 80 215.92
    1,4-butanediol 96.38
    1,1-dichloroethane 1594.25
    2-methyl-1-pentanol 296.88
    methyl formate 312.77
    2-methyl-1-butanol 298.13
    n-decane 23.2
    butyronitrile 569.1
    3,7-dimethyl-1-octanol 146.75
    1-chlorooctane 128.82
    1-chlorotetradecane 49.03
    n-nonane 21.54
    undecane 17.51
    tert-butylcyclohexane 52.0
    cyclooctane 25.84
    cyclopentanol 213.84
    tetrahydropyran 860.54
    tert-amyl methyl ether 435.52
    2,5,8-trioxanonane 533.41
    1-hexene 275.79
    2-isopropoxyethanol 341.97
    2,2,2-trifluoroethanol 130.23
    methyl butyrate 710.8

    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