2-Phenylethyl pivalate

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  • Identifiers

    CAS number
    67662-96-8

    Molecular formula
    C13H18O2

    SMILES
    CC(C)(C)C(=O)OCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 88.8%
    Rose 64.03%
    Green 50.48%
    Honey 49.32%
    Sweet 46.45%
    Fruity 44.46%
    Balsamic 44.04%
    Herbal 42.12%
    Spicy 40.38%
    Hyacinth 36.35%

     

    Flavor
    Fruity 74.2%
    Floral 72.15%
    Rose 59.98%
    Bitter 56.02%
    Sweet 54.64%
    Green 52.43%
    Tropical 39.74%
    Honey 34.59%
    Jasmin 33.0%
    Balsam 32.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.06 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 114.85 ˚C est.

  • Synonyms

    • 2-Phenylethyl pivalate
    • Phenethyl pivalate
    • 67662-96-8
    • Phenylethyl pivalate
    • 2-phenylethyl 2,2-dimethylpropanoate
    • Phenylethyl trimethylacetate
    • Propanoic acid, 2,2-dimethyl-, 2-phenylethyl ester
    • EINECS 266-841-2
    • AI3-34502
    • DTXSID8070542
    • CHEBI:87336
    • Pivarose
    • Centifolyl
    • 2-Phenylethyl pivalate #
    • SCHEMBL290872
    • DTXCID9044954
    • Pivalic acid, 2-phenylethyl ester
    • AKOS017182081
    • DB-255941
    • NS00013123
    • 2,2-Dimethylpropionic acid, 2-phenylethyl ester
    • Q27159539
    • 266-841-2

  • Applications

    2-Phenylethyl pivalate (CAS 67662-96-8) is predominantly used in perfumery as a fragrance ingredient and fixative, contributing floral notes and helping stabilize scent delivery. In cosmetics and personal care, it functions as a fragrance component and a solvent/co-solvent in formulations such as creams and lotions. In household products, it is employed as a fragrance ingredient and formulation solvent for cleaners and air fresheners. In coatings and inks, it can act as a specialty solvent or processing aid, aiding pigment dispersion and odor consistency. In industrial manufacturing, it may be encountered as an intermediate in ester synthesis or fragrance compound production, serving as a precursor or building block for related esters. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1716.78
    methanol 2099.27
    isopropanol 1322.2
    water 5.39
    ethyl acetate 2889.17
    n-propanol 1250.32
    acetone 2867.08
    n-butanol 1242.44
    acetonitrile 2824.1
    DMF 3264.88
    toluene 978.61
    isobutanol 1153.98
    1,4-dioxane 2526.96
    methyl acetate 2209.7
    THF 2300.43
    2-butanone 1962.61
    n-pentanol 1020.02
    sec-butanol 1226.52
    n-hexane 494.12
    ethylene glycol 273.88
    NMP 1668.09
    cyclohexane 398.59
    DMSO 1333.14
    n-butyl acetate 1910.88
    n-octanol 575.33
    chloroform 5953.58
    n-propyl acetate 1756.61
    acetic acid 2331.19
    dichloromethane 4723.22
    cyclohexanone 2230.49
    propylene glycol 379.11
    isopropyl acetate 1965.63
    DMAc 2647.51
    2-ethoxyethanol 1695.15
    isopentanol 1381.48
    n-heptane 162.38
    ethyl formate 1532.49
    1,2-dichloroethane 3297.84
    n-hexanol 1057.14
    2-methoxyethanol 2051.38
    isobutyl acetate 1222.9
    tetrachloromethane 902.65
    n-pentyl acetate 950.28
    transcutol 4300.19
    n-heptanol 557.14
    ethylbenzene 802.39
    MIBK 1440.46
    2-propoxyethanol 1662.56
    tert-butanol 1863.09
    MTBE 2556.75
    2-butoxyethanol 1045.2
    propionic acid 1261.17
    o-xylene 738.82
    formic acid 871.64
    diethyl ether 2617.45
    m-xylene 752.24
    p-xylene 1052.22
    chlorobenzene 1478.23
    dimethyl carbonate 967.44
    n-octane 89.38
    formamide 1517.84
    cyclopentanone 2083.32
    2-pentanone 2073.22
    anisole 1553.82
    cyclopentyl methyl ether 1583.87
    gamma-butyrolactone 2327.28
    1-methoxy-2-propanol 1561.63
    pyridine 1672.13
    3-pentanone 1580.83
    furfural 2053.36
    n-dodecane 56.89
    diethylene glycol 1018.31
    diisopropyl ether 897.51
    tert-amyl alcohol 1680.36
    acetylacetone 2266.95
    n-hexadecane 64.82
    acetophenone 1300.56
    methyl propionate 1776.98
    isopentyl acetate 1749.55
    trichloroethylene 5689.88
    n-nonanol 489.92
    cyclohexanol 1121.5
    benzyl alcohol 902.34
    2-ethylhexanol 755.36
    isooctanol 510.85
    dipropyl ether 1023.57
    1,2-dichlorobenzene 1487.21
    ethyl lactate 616.68
    propylene carbonate 1656.63
    n-methylformamide 1807.42
    2-pentanol 1109.9
    n-pentane 301.51
    1-propoxy-2-propanol 1144.64
    1-methoxy-2-propyl acetate 1614.23
    2-(2-methoxypropoxy) propanol 869.64
    mesitylene 539.57
    ε-caprolactone 1933.88
    p-cymene 400.44
    epichlorohydrin 3276.66
    1,1,1-trichloroethane 3498.24
    2-aminoethanol 687.89
    morpholine-4-carbaldehyde 2231.45
    sulfolane 1870.22
    2,2,4-trimethylpentane 191.99
    2-methyltetrahydrofuran 2013.96
    n-hexyl acetate 1423.36
    isooctane 151.83
    2-(2-butoxyethoxy)ethanol 1312.43
    sec-butyl acetate 1394.89
    tert-butyl acetate 1982.0
    decalin 268.32
    glycerin 506.67
    diglyme 2454.87
    acrylic acid 1120.39
    isopropyl myristate 456.52
    n-butyric acid 2009.18
    acetyl acetate 1852.66
    di(2-ethylhexyl) phthalate 345.48
    ethyl propionate 1440.75
    nitromethane 4157.47
    1,2-diethoxyethane 1874.12
    benzonitrile 1298.7
    trioctyl phosphate 265.04
    1-bromopropane 1775.92
    gamma-valerolactone 2756.09
    n-decanol 331.24
    triethyl phosphate 471.32
    4-methyl-2-pentanol 756.02
    propionitrile 1688.92
    vinylene carbonate 1630.88
    1,1,2-trichlorotrifluoroethane 2083.86
    DMS 1162.35
    cumene 579.96
    2-octanol 422.11
    2-hexanone 1409.11
    octyl acetate 559.58
    limonene 567.55
    1,2-dimethoxyethane 2754.84
    ethyl orthosilicate 515.54
    tributyl phosphate 399.24
    diacetone alcohol 1504.87
    N,N-dimethylaniline 1044.36
    acrylonitrile 1892.89
    aniline 977.23
    1,3-propanediol 1021.72
    bromobenzene 1595.08
    dibromomethane 3054.68
    1,1,2,2-tetrachloroethane 4957.93
    2-methyl-cyclohexyl acetate 816.48
    tetrabutyl urea 440.96
    diisobutyl methanol 431.23
    2-phenylethanol 882.61
    styrene 953.51
    dioctyl adipate 559.17
    dimethyl sulfate 1183.4
    ethyl butyrate 1295.21
    methyl lactate 681.67
    butyl lactate 709.16
    diethyl carbonate 863.13
    propanediol butyl ether 839.7
    triethyl orthoformate 819.43
    p-tert-butyltoluene 401.31
    methyl 4-tert-butylbenzoate 867.18
    morpholine 2475.35
    tert-butylamine 1236.48
    n-dodecanol 245.84
    dimethoxymethane 2129.74
    ethylene carbonate 1469.58
    cyrene 664.92
    2-ethoxyethyl acetate 1273.63
    2-ethylhexyl acetate 1329.43
    1,2,4-trichlorobenzene 1528.07
    4-methylpyridine 2060.9
    dibutyl ether 943.16
    2,6-dimethyl-4-heptanol 431.23
    DEF 2371.9
    dimethyl isosorbide 1315.68
    tetrachloroethylene 3167.75
    eugenol 785.44
    triacetin 1113.49
    span 80 681.77
    1,4-butanediol 488.42
    1,1-dichloroethane 3553.37
    2-methyl-1-pentanol 1102.93
    methyl formate 1517.31
    2-methyl-1-butanol 1263.88
    n-decane 108.0
    butyronitrile 1744.61
    3,7-dimethyl-1-octanol 606.86
    1-chlorooctane 490.07
    1-chlorotetradecane 159.81
    n-nonane 114.98
    undecane 74.3
    tert-butylcyclohexane 283.85
    cyclooctane 156.61
    cyclopentanol 853.44
    tetrahydropyran 2185.4
    tert-amyl methyl ether 1932.84
    2,5,8-trioxanonane 1414.73
    1-hexene 1177.96
    2-isopropoxyethanol 1356.78
    2,2,2-trifluoroethanol 991.7
    methyl butyrate 1826.16

    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