3-Phenylprop-2-en-1-yl 2,2-dimethylpropanoate

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  • Identifiers

    CAS number
    77821-95-5

    Molecular formula
    C14H18O2

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

    Retention indicies (RI)

    • Carbowax: 2347.0

  • Odor profile

    Floral 80.85%
    Fruity 68.29%
    Sweet 67.3%
    Balsamic 65.88%
    Spicy 56.31%
    Green 52.19%
    Herbal 48.0%
    Rose 47.52%
    Tropical 39.37%
    Honey 38.88%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point est.
    131.31 ˚C

  • Synonyms

    • 77821-95-5
    • DTXSID30824150
    • 3-Phenylprop-2-en-1-yl 2,2-dimethylpropanoate
    • cinnamyl pivalate
    • DTXCID20774892
    • CHHARWISCOYVDV-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 697.47
    methanol 678.09
    isopropanol 469.7
    water 0.65
    ethyl acetate 1398.9
    n-propanol 496.16
    acetone 961.29
    n-butanol 542.57
    acetonitrile 979.95
    DMF 1030.51
    toluene 533.64
    isobutanol 407.81
    1,4-dioxane 1002.59
    methyl acetate 991.65
    THF 1205.88
    2-butanone 968.76
    n-pentanol 499.16
    sec-butanol 543.58
    n-hexane 206.85
    ethylene glycol 73.79
    NMP 626.41
    cyclohexane 141.1
    DMSO 562.78
    n-butyl acetate 1064.93
    n-octanol 325.46
    chloroform 2842.03
    n-propyl acetate 911.41
    acetic acid 584.16
    dichloromethane 2614.78
    cyclohexanone 882.47
    propylene glycol 154.31
    isopropyl acetate 828.25
    DMAc 991.41
    2-ethoxyethanol 778.37
    isopentanol 583.46
    n-heptane 109.63
    ethyl formate 670.47
    1,2-dichloroethane 1504.58
    n-hexanol 552.91
    2-methoxyethanol 816.71
    isobutyl acetate 580.29
    tetrachloromethane 322.04
    n-pentyl acetate 490.65
    transcutol 2243.07
    n-heptanol 300.64
    ethylbenzene 451.39
    MIBK 652.95
    2-propoxyethanol 802.3
    tert-butanol 669.38
    MTBE 960.12
    2-butoxyethanol 513.35
    propionic acid 448.92
    o-xylene 367.58
    formic acid 194.31
    diethyl ether 1066.37
    m-xylene 409.39
    p-xylene 491.23
    chlorobenzene 711.45
    dimethyl carbonate 403.69
    n-octane 58.04
    formamide 380.14
    cyclopentanone 970.86
    2-pentanone 962.82
    anisole 818.07
    cyclopentyl methyl ether 696.35
    gamma-butyrolactone 1080.25
    1-methoxy-2-propanol 686.26
    pyridine 788.8
    3-pentanone 760.9
    furfural 918.6
    n-dodecane 42.01
    diethylene glycol 435.05
    diisopropyl ether 396.84
    tert-amyl alcohol 713.54
    acetylacetone 946.12
    n-hexadecane 46.89
    acetophenone 698.12
    methyl propionate 836.77
    isopentyl acetate 877.39
    trichloroethylene 2715.0
    n-nonanol 287.74
    cyclohexanol 413.42
    benzyl alcohol 479.68
    2-ethylhexanol 418.79
    isooctanol 275.49
    dipropyl ether 558.4
    1,2-dichlorobenzene 731.63
    ethyl lactate 336.91
    propylene carbonate 768.91
    n-methylformamide 564.68
    2-pentanol 512.12
    n-pentane 128.24
    1-propoxy-2-propanol 627.06
    1-methoxy-2-propyl acetate 781.45
    2-(2-methoxypropoxy) propanol 517.27
    mesitylene 270.51
    ε-caprolactone 809.87
    p-cymene 246.08
    epichlorohydrin 1483.43
    1,1,1-trichloroethane 1472.85
    2-aminoethanol 230.0
    morpholine-4-carbaldehyde 867.56
    sulfolane 818.42
    2,2,4-trimethylpentane 95.63
    2-methyltetrahydrofuran 969.82
    n-hexyl acetate 705.22
    isooctane 81.28
    2-(2-butoxyethoxy)ethanol 714.85
    sec-butyl acetate 678.75
    tert-butyl acetate 823.65
    decalin 129.16
    glycerin 179.96
    diglyme 1213.02
    acrylic acid 366.88
    isopropyl myristate 270.66
    n-butyric acid 767.3
    acetyl acetate 766.75
    di(2-ethylhexyl) phthalate 215.19
    ethyl propionate 779.55
    nitromethane 1164.57
    1,2-diethoxyethane 1028.37
    benzonitrile 633.64
    trioctyl phosphate 164.28
    1-bromopropane 962.21
    gamma-valerolactone 1080.98
    n-decanol 214.88
    triethyl phosphate 273.26
    4-methyl-2-pentanol 358.12
    propionitrile 724.49
    vinylene carbonate 724.2
    1,1,2-trichlorotrifluoroethane 808.46
    DMS 544.96
    cumene 316.59
    2-octanol 226.47
    2-hexanone 758.85
    octyl acetate 332.88
    limonene 320.96
    1,2-dimethoxyethane 1194.84
    ethyl orthosilicate 290.4
    tributyl phosphate 232.12
    diacetone alcohol 700.48
    N,N-dimethylaniline 544.8
    acrylonitrile 790.26
    aniline 450.53
    1,3-propanediol 363.95
    bromobenzene 846.59
    dibromomethane 1708.45
    1,1,2,2-tetrachloroethane 2129.55
    2-methyl-cyclohexyl acetate 454.3
    tetrabutyl urea 267.61
    diisobutyl methanol 239.96
    2-phenylethanol 480.15
    styrene 518.02
    dioctyl adipate 346.91
    dimethyl sulfate 457.06
    ethyl butyrate 781.36
    methyl lactate 306.27
    butyl lactate 356.29
    diethyl carbonate 506.29
    propanediol butyl ether 433.67
    triethyl orthoformate 428.3
    p-tert-butyltoluene 237.36
    methyl 4-tert-butylbenzoate 480.62
    morpholine 984.76
    tert-butylamine 469.04
    n-dodecanol 166.26
    dimethoxymethane 914.25
    ethylene carbonate 605.31
    cyrene 401.01
    2-ethoxyethyl acetate 669.89
    2-ethylhexyl acetate 698.42
    1,2,4-trichlorobenzene 747.15
    4-methylpyridine 915.02
    dibutyl ether 524.95
    2,6-dimethyl-4-heptanol 239.96
    DEF 889.91
    dimethyl isosorbide 772.85
    tetrachloroethylene 1172.2
    eugenol 453.64
    triacetin 571.81
    span 80 392.7
    1,4-butanediol 220.66
    1,1-dichloroethane 1597.6
    2-methyl-1-pentanol 570.67
    methyl formate 485.31
    2-methyl-1-butanol 529.64
    n-decane 70.98
    butyronitrile 815.58
    3,7-dimethyl-1-octanol 354.33
    1-chlorooctane 301.5
    1-chlorotetradecane 112.51
    n-nonane 74.08
    undecane 52.24
    tert-butylcyclohexane 138.94
    cyclooctane 67.95
    cyclopentanol 323.99
    tetrahydropyran 888.34
    tert-amyl methyl ether 801.48
    2,5,8-trioxanonane 794.27
    1-hexene 533.57
    2-isopropoxyethanol 652.75
    2,2,2-trifluoroethanol 225.67
    methyl butyrate 962.77

    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
Diospyros discolor, fruit peel Diospyros discolor Willd., Ebenaceae (D. blancoi), fam. Ebenaceae 0.7%