2-Phenoxyethyl pivalate

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  • Identifiers

    CAS number
    58214-99-6

    Molecular formula
    C13H18O3

    SMILES
    CC(C)(C)C(=O)OCCOC1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Floral 71.82%
    Fruity 50.15%
    Green 43.43%
    Rose 43.36%
    Sweet 42.71%
    Herbal 41.41%
    Honey 37.97%
    Balsamic 37.74%
    Powdery 32.76%
    Woody 31.81%

     

    Flavor
    Fruity 77.01%
    Sweet 59.29%
    Floral 51.83%
    Bitter 48.45%
    Green 44.34%
    Rose 39.25%
    Tropical 35.35%
    Balsam 34.96%
    Apricot 30.61%
    Herbal 29.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.18 (neutral)

    Molecular weight
    222.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point

    • 123.55 ˚C est.

  • Synonyms

    • 2-phenoxyethyl pivalate
    • SCHEMBL3163614
    • SCHEMBL3170064
    • SCHEMBL12389249
    • XOFORMIUCZSDQQ-UHFFFAOYSA-N
    • Mayflora

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1346.13
    methanol 1675.23
    isopropanol 949.71
    water 4.18
    ethyl acetate 3284.67
    n-propanol 947.05
    acetone 2943.31
    n-butanol 862.54
    acetonitrile 3178.04
    DMF 2569.49
    toluene 751.88
    isobutanol 753.42
    1,4-dioxane 2107.28
    methyl acetate 2544.14
    THF 2362.1
    2-butanone 1947.44
    n-pentanol 645.44
    sec-butanol 868.83
    n-hexane 224.61
    ethylene glycol 254.57
    NMP 1471.16
    cyclohexane 275.2
    DMSO 1933.49
    n-butyl acetate 1523.15
    n-octanol 385.98
    chloroform 5962.86
    n-propyl acetate 1650.76
    acetic acid 1772.83
    dichloromethane 6084.16
    cyclohexanone 1849.61
    propylene glycol 303.25
    isopropyl acetate 1744.05
    DMAc 2140.46
    2-ethoxyethanol 1535.37
    isopentanol 885.12
    n-heptane 124.08
    ethyl formate 1552.88
    1,2-dichloroethane 3678.3
    n-hexanol 579.34
    2-methoxyethanol 1829.02
    isobutyl acetate 892.65
    tetrachloromethane 843.04
    n-pentyl acetate 735.26
    transcutol 3253.15
    n-heptanol 313.84
    ethylbenzene 530.01
    MIBK 1090.19
    2-propoxyethanol 1174.02
    tert-butanol 1353.88
    MTBE 1759.71
    2-butoxyethanol 678.84
    propionic acid 1172.56
    o-xylene 549.7
    formic acid 783.88
    diethyl ether 2117.41
    m-xylene 541.76
    p-xylene 715.18
    chlorobenzene 1159.89
    dimethyl carbonate 1027.5
    n-octane 68.9
    formamide 1504.92
    cyclopentanone 2172.58
    2-pentanone 1820.35
    anisole 1100.64
    cyclopentyl methyl ether 1391.85
    gamma-butyrolactone 2702.5
    1-methoxy-2-propanol 1352.82
    pyridine 1411.74
    3-pentanone 1551.62
    furfural 1923.21
    n-dodecane 48.89
    diethylene glycol 799.57
    diisopropyl ether 668.4
    tert-amyl alcohol 1228.84
    acetylacetone 2348.33
    n-hexadecane 55.71
    acetophenone 1060.02
    methyl propionate 1949.08
    isopentyl acetate 1180.93
    trichloroethylene 6039.76
    n-nonanol 322.6
    cyclohexanol 815.84
    benzyl alcohol 679.5
    2-ethylhexanol 424.33
    isooctanol 295.3
    dipropyl ether 772.31
    1,2-dichlorobenzene 1252.48
    ethyl lactate 536.21
    propylene carbonate 1603.66
    n-methylformamide 1615.2
    2-pentanol 767.17
    n-pentane 164.08
    1-propoxy-2-propanol 820.06
    1-methoxy-2-propyl acetate 1219.07
    2-(2-methoxypropoxy) propanol 653.59
    mesitylene 357.45
    ε-caprolactone 1664.12
    p-cymene 305.99
    epichlorohydrin 3460.74
    1,1,1-trichloroethane 3535.87
    2-aminoethanol 518.75
    morpholine-4-carbaldehyde 1897.73
    sulfolane 2234.56
    2,2,4-trimethylpentane 119.7
    2-methyltetrahydrofuran 1781.16
    n-hexyl acetate 1028.99
    isooctane 88.53
    2-(2-butoxyethoxy)ethanol 914.74
    sec-butyl acetate 1071.62
    tert-butyl acetate 1575.07
    decalin 158.17
    glycerin 408.67
    diglyme 1872.53
    acrylic acid 991.01
    isopropyl myristate 358.03
    n-butyric acid 1630.37
    acetyl acetate 2025.7
    di(2-ethylhexyl) phthalate 267.98
    ethyl propionate 1347.92
    nitromethane 4774.12
    1,2-diethoxyethane 1455.12
    benzonitrile 989.89
    trioctyl phosphate 215.51
    1-bromopropane 1735.39
    gamma-valerolactone 2451.19
    n-decanol 229.94
    triethyl phosphate 421.14
    4-methyl-2-pentanol 467.99
    propionitrile 1598.73
    vinylene carbonate 1491.25
    1,1,2-trichlorotrifluoroethane 1845.43
    DMS 1040.8
    cumene 370.06
    2-octanol 256.25
    2-hexanone 1134.98
    octyl acetate 432.61
    limonene 434.56
    1,2-dimethoxyethane 2246.54
    ethyl orthosilicate 406.71
    tributyl phosphate 319.72
    diacetone alcohol 1206.31
    N,N-dimethylaniline 727.84
    acrylonitrile 1869.16
    aniline 704.18
    1,3-propanediol 771.93
    bromobenzene 1415.73
    dibromomethane 3733.35
    1,1,2,2-tetrachloroethane 4441.93
    2-methyl-cyclohexyl acetate 620.98
    tetrabutyl urea 352.61
    diisobutyl methanol 289.83
    2-phenylethanol 581.86
    styrene 652.83
    dioctyl adipate 505.96
    dimethyl sulfate 1319.61
    ethyl butyrate 1090.23
    methyl lactate 665.39
    butyl lactate 519.96
    diethyl carbonate 763.97
    propanediol butyl ether 589.47
    triethyl orthoformate 600.33
    p-tert-butyltoluene 293.21
    methyl 4-tert-butylbenzoate 688.34
    morpholine 2010.48
    tert-butylamine 816.08
    n-dodecanol 180.34
    dimethoxymethane 2095.16
    ethylene carbonate 1343.11
    cyrene 582.02
    2-ethoxyethyl acetate 1040.06
    2-ethylhexyl acetate 910.05
    1,2,4-trichlorobenzene 1303.22
    4-methylpyridine 1527.13
    dibutyl ether 685.62
    2,6-dimethyl-4-heptanol 289.83
    DEF 1867.54
    dimethyl isosorbide 1116.48
    tetrachloroethylene 2845.45
    eugenol 568.82
    triacetin 959.1
    span 80 465.03
    1,4-butanediol 417.07
    1,1-dichloroethane 3578.54
    2-methyl-1-pentanol 659.1
    methyl formate 1574.57
    2-methyl-1-butanol 809.49
    n-decane 83.49
    butyronitrile 1527.96
    3,7-dimethyl-1-octanol 399.33
    1-chlorooctane 364.72
    1-chlorotetradecane 140.43
    n-nonane 86.78
    undecane 60.59
    tert-butylcyclohexane 148.27
    cyclooctane 110.25
    cyclopentanol 704.68
    tetrahydropyran 1684.04
    tert-amyl methyl ether 1349.52
    2,5,8-trioxanonane 1141.53
    1-hexene 622.9
    2-isopropoxyethanol 1105.27
    2,2,2-trifluoroethanol 894.39
    methyl butyrate 1703.2

    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