Benzyl pivalate

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  • Identifiers

    CAS number
    2094-69-1

    Molecular formula
    C12H16O2

    SMILES
    CC(C)(C)C(=O)OCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 77.26%
    Herbal 55.56%
    Fruity 53.74%
    Spicy 37.92%
    Sweet 37.6%
    Balsamic 36.89%
    Rose 36.23%
    Green 32.34%
    Woody 30.65%
    Jasmin 29.71%

     

    Flavor
    Fruity 80.49%
    Sweet 64.7%
    Floral 52.36%
    Green 48.09%
    Herbal 42.14%
    Tropical 37.53%
    Rose 37.52%
    Apple 36.4%
    Berry 35.25%
    Jasmin 34.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.14 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 98.02 ˚C est.

  • Synonyms

    • Benzyl pivalate
    • benzyl 2,2-dimethylpropanoate
    • 2094-69-1
    • PROPANOIC ACID, 2,2-DIMETHYL-, PHENYLMETHYL ESTER
    • Pivalic acid, benzyl ester
    • Benzyl 2,2-dimethylpropionate
    • Phenylmethyl 2,2-dimethylpropanoate
    • DTXSID6051853
    • EINECS 218-251-1
    • NSC 409387
    • NSC-409387
    • AI3-20487
    • Cbz-tBu
    • Benzyl pivalate #
    • UPCMLD00WJLM9
    • 6PLV4J9C6P
    • SCHEMBL522510
    • DTXCID0030409
    • NSC409387
    • DB-244742
    • NS00026765
    • 2,2-Dimethylpropanoic acid phenylmethyl ester
    • Propanoic acid,2-dimethyl-, phenylmethyl ester
    • 218-251-1

  • Applications

    Benzyl pivalate (CAS 2094-69-1) is primarily used as a fragrance ingredient and fixative in the perfumery and fragrance industry, helping to stabilize and prolong the scent. It is also employed as a solvent and fragrance carrier in cosmetics and personal care, and can serve as a solvent or fragrance medium in household and cleaning formulations. In the coatings and inks sector, it may function as a solvent and processing aid during manufacturing. Additionally, it can be considered an organic synthesis intermediate and may be evaluated for polymer-related uses as a processing aid or additive in various polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1061.76
    methanol 1211.47
    isopropanol 598.64
    water 3.21
    ethyl acetate 1243.36
    n-propanol 686.99
    acetone 747.09
    n-butanol 765.61
    acetonitrile 985.23
    DMF 952.96
    toluene 521.61
    isobutanol 521.75
    1,4-dioxane 1278.58
    methyl acetate 869.89
    THF 1120.2
    2-butanone 756.68
    n-pentanol 625.77
    sec-butanol 642.91
    n-hexane 193.51
    ethylene glycol 132.11
    NMP 605.46
    cyclohexane 154.41
    DMSO 393.95
    n-butyl acetate 1025.98
    n-octanol 361.12
    chloroform 2503.15
    n-propyl acetate 819.4
    acetic acid 1126.36
    dichloromethane 1905.51
    cyclohexanone 842.44
    propylene glycol 202.02
    isopropyl acetate 794.91
    DMAc 982.79
    2-ethoxyethanol 968.59
    isopentanol 776.08
    n-heptane 112.47
    ethyl formate 740.99
    1,2-dichloroethane 1122.79
    n-hexanol 714.18
    2-methoxyethanol 1160.4
    isobutyl acetate 570.3
    tetrachloromethane 313.93
    n-pentyl acetate 475.65
    transcutol 2572.02
    n-heptanol 389.56
    ethylbenzene 485.2
    MIBK 579.35
    2-propoxyethanol 994.12
    tert-butanol 840.71
    MTBE 1060.01
    2-butoxyethanol 653.95
    propionic acid 556.01
    o-xylene 379.01
    formic acid 462.83
    diethyl ether 1009.37
    m-xylene 375.97
    p-xylene 620.12
    chlorobenzene 679.45
    dimethyl carbonate 343.54
    n-octane 55.21
    formamide 696.71
    cyclopentanone 731.5
    2-pentanone 767.73
    anisole 908.92
    cyclopentyl methyl ether 616.31
    gamma-butyrolactone 874.74
    1-methoxy-2-propanol 790.98
    pyridine 944.05
    3-pentanone 551.31
    furfural 997.36
    n-dodecane 35.58
    diethylene glycol 575.08
    diisopropyl ether 376.62
    tert-amyl alcohol 888.77
    acetylacetone 823.85
    n-hexadecane 39.44
    acetophenone 738.51
    methyl propionate 661.41
    isopentyl acetate 913.51
    trichloroethylene 2208.8
    n-nonanol 325.1
    cyclohexanol 483.54
    benzyl alcohol 583.16
    2-ethylhexanol 525.56
    isooctanol 339.48
    dipropyl ether 583.43
    1,2-dichlorobenzene 688.61
    ethyl lactate 342.05
    propylene carbonate 766.99
    n-methylformamide 646.66
    2-pentanol 606.12
    n-pentane 125.54
    1-propoxy-2-propanol 704.45
    1-methoxy-2-propyl acetate 800.65
    2-(2-methoxypropoxy) propanol 588.46
    mesitylene 260.51
    ε-caprolactone 822.95
    p-cymene 266.95
    epichlorohydrin 1304.14
    1,1,1-trichloroethane 1153.05
    2-aminoethanol 366.96
    morpholine-4-carbaldehyde 1122.35
    sulfolane 610.26
    2,2,4-trimethylpentane 100.86
    2-methyltetrahydrofuran 923.99
    n-hexyl acetate 682.99
    isooctane 80.26
    2-(2-butoxyethoxy)ethanol 859.95
    sec-butyl acetate 644.73
    tert-butyl acetate 795.44
    decalin 143.09
    glycerin 257.83
    diglyme 1492.03
    acrylic acid 492.5
    isopropyl myristate 263.32
    n-butyric acid 976.29
    acetyl acetate 769.79
    di(2-ethylhexyl) phthalate 228.38
    ethyl propionate 699.01
    nitromethane 1371.26
    1,2-diethoxyethane 1036.82
    benzonitrile 714.54
    trioctyl phosphate 166.8
    1-bromopropane 754.25
    gamma-valerolactone 1122.6
    n-decanol 227.79
    triethyl phosphate 281.55
    4-methyl-2-pentanol 427.82
    propionitrile 703.3
    vinylene carbonate 800.6
    1,1,2-trichlorotrifluoroethane 875.01
    DMS 464.01
    cumene 358.92
    2-octanol 250.95
    2-hexanone 663.27
    octyl acetate 333.19
    limonene 338.11
    1,2-dimethoxyethane 1515.36
    ethyl orthosilicate 319.13
    tributyl phosphate 230.33
    diacetone alcohol 718.33
    N,N-dimethylaniline 591.75
    acrylonitrile 790.68
    aniline 501.38
    1,3-propanediol 577.89
    bromobenzene 716.08
    dibromomethane 1327.63
    1,1,2,2-tetrachloroethane 1804.42
    2-methyl-cyclohexyl acetate 513.4
    tetrabutyl urea 248.82
    diisobutyl methanol 300.24
    2-phenylethanol 561.37
    styrene 581.54
    dioctyl adipate 338.5
    dimethyl sulfate 333.35
    ethyl butyrate 759.96
    methyl lactate 304.34
    butyl lactate 371.44
    diethyl carbonate 537.07
    propanediol butyl ether 489.41
    triethyl orthoformate 502.9
    p-tert-butyltoluene 256.95
    methyl 4-tert-butylbenzoate 500.54
    morpholine 1367.59
    tert-butylamine 626.26
    n-dodecanol 173.71
    dimethoxymethane 793.29
    ethylene carbonate 648.58
    cyrene 431.15
    2-ethoxyethyl acetate 638.14
    2-ethylhexyl acetate 728.66
    1,2,4-trichlorobenzene 714.89
    4-methylpyridine 1055.02
    dibutyl ether 514.52
    2,6-dimethyl-4-heptanol 300.24
    DEF 874.96
    dimethyl isosorbide 834.0
    tetrachloroethylene 1120.78
    eugenol 505.63
    triacetin 541.87
    span 80 463.38
    1,4-butanediol 276.79
    1,1-dichloroethane 1203.73
    2-methyl-1-pentanol 679.99
    methyl formate 489.61
    2-methyl-1-butanol 679.93
    n-decane 65.76
    butyronitrile 857.43
    3,7-dimethyl-1-octanol 419.72
    1-chlorooctane 279.85
    1-chlorotetradecane 97.94
    n-nonane 67.17
    undecane 45.53
    tert-butylcyclohexane 149.64
    cyclooctane 68.37
    cyclopentanol 342.59
    tetrahydropyran 1004.78
    tert-amyl methyl ether 839.38
    2,5,8-trioxanonane 925.33
    1-hexene 540.8
    2-isopropoxyethanol 707.51
    2,2,2-trifluoroethanol 359.85
    methyl butyrate 912.76

    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