Dimethyl benzyl carbinyl butyrate

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  • Identifiers

    CAS number
    10094-34-5

    Molecular formula
    C14H20O2

    SMILES
    CCCC(=O)OC(C)(C)CC1=CC=CC=C1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 86.76%
    Floral 78.2%
    Green 60.72%
    Herbal 58.35%
    Sweet 51.29%
    Rose 49.13%
    Spicy 43.95%
    Jasmin 42.96%
    Honey 39.83%
    Plum 35.7%

     

    Flavor
    Sweet 74.09%
    Fruity 64.96%
    Bitter 60.56%
    Floral 53.93%
    Rose 53.42%
    Green 51.23%
    Herbal 40.24%
    Tropical 39.34%
    Fruit 35.85%
    Honey 34.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.93 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 253.00 to 255.00 °C. @ 760.00 mm Hg

    Flash point

    • 121.58 ˚C est.

    Solubility expt.

    • Soluble in mineral oil and most fixed oils; insoluble in water and propylene glycol
    • Soluble (in ethanol)

  • Synonyms

    • 10094-34-5
    • Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
    • Benzyldimethylcarbinyl butyrate
    • Dimethylbenzylcarbinyl butyrate
    • Dimethyl benzyl carbinyl butyrate
    • alpha,alpha-Dimethylphenethyl butyrate
    • Dmbc butyrate
    • 1,1-Dimethyl-2-phenylethyl butyrate
    • 2-Benzyl-2-propyl butyrate
    • Benzyl dimethylcarbinyl butyrate
    • 1,1-Dimethyl-2-phenylethyl butanoate
    • Benzyl dimethylcarbinyl n-butyrate
    • FEMA No. 2394
    • Benzyl dimethyl carbinyl butyrate
    • (2-methyl-1-phenylpropan-2-yl) butanoate
    • EINECS 233-221-8
    • DTXSID5038830
    • Butyric acid, .alpha.,.alpha.-dimethylphenethyl ester
    • BUTYRIC ACID, alpha,alpha-DIMETHYLPHENETHYL ESTER
    • DIMETHYL PHENETHYL BUTYRATE
    • 3Q0C60547R
    • 2-Methyl-1-phenyl-2-propanyl butyrate
    • .alpha.,.alpha.-Dimethylphenethyl butyrate
    • DTXCID3018830
    • Dimethyl benzyl carbinyl n-butyrate
    • 2-methyl-1-phenylpropan-2-yl butyrate
    • DIMETHYL BENZYL CARBINYL BUTYRATE [FCC]
    • .ALPHA.,.ALPHA.-DIMETHYLPHENETHYL BUTYRATE [FHFI]
    • UNII-3Q0C60547R
    • SCHEMBL273935
    • CHEMBL3187337
    • FEMA 2394
    • CHEBI:185847
    • Tox21_300643
    • AKOS015888177
    • 2-methyl-1-phenylpropan-2-yl butanoate
    • NCGC00248123-01
    • NCGC00254551-01
    • AS-76655
    • DIMETHYL PHENETHYL BUTYRATE [INCI]
    • CAS-10094-34-5
    • CS-0439723
    • NS00012263
    • alpha,alpha-Dimethylphenethyl alcohol, butyrate
    • E79161
    • .alpha.,.alpha.-Dimethylphenethyl alcohol, butyrate
    • Q27257883
    • alpha,alpha-Dimethylphenethyl butyrate, >=95%, FCC, FG
    • 233-221-8

  • Applications

    α,α-Dimethylphenethyl butyrate (CAS 10094-34-5) is a fruity-sweet aromatic ester primarily employed as a fragrance ingredient in perfumes, air fresheners, body-care cosmetics, and processed foods (candies, beverages, baked goods) to impart berry-creamy notes; it is also used as a flavor-carrying solvent, palatability enhancer in premium animal feed, odor modifier in tobacco, synthetic intermediate in pharmaceutical research—particularly in designing bioactive phenethyl derivatives—and an analytical reference standard in laboratories, all subject to compliance with IFRA, EU FCM, and GHS safety regulations because of the respiratory irritation and flammability hazards common to short-chain esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1151.01
    methanol 1645.91
    isopropanol 919.84
    water 1.11
    ethyl acetate 873.95
    n-propanol 995.98
    acetone 1314.69
    n-butanol 1027.44
    acetonitrile 867.66
    DMF 1491.62
    toluene 590.46
    isobutanol 877.23
    1,4-dioxane 1494.08
    methyl acetate 776.01
    THF 1984.2
    2-butanone 947.43
    n-pentanol 789.91
    sec-butanol 896.98
    n-hexane 448.3
    ethylene glycol 167.16
    NMP 1311.09
    cyclohexane 509.62
    DMSO 1062.43
    n-butyl acetate 792.34
    n-octanol 542.99
    chloroform 3568.95
    n-propyl acetate 548.27
    acetic acid 855.67
    dichloromethane 2612.49
    cyclohexanone 1791.35
    propylene glycol 332.64
    isopropyl acetate 569.39
    DMAc 1252.2
    2-ethoxyethanol 515.88
    isopentanol 855.87
    n-heptane 199.72
    ethyl formate 595.25
    1,2-dichloroethane 1384.52
    n-hexanol 1190.09
    2-methoxyethanol 891.14
    isobutyl acetate 412.39
    tetrachloromethane 345.53
    n-pentyl acetate 475.6
    transcutol 1701.38
    n-heptanol 390.89
    ethylbenzene 430.77
    MIBK 592.19
    2-propoxyethanol 1079.59
    tert-butanol 1026.04
    MTBE 920.66
    2-butoxyethanol 448.84
    propionic acid 731.61
    o-xylene 391.46
    formic acid 228.95
    diethyl ether 1143.26
    m-xylene 441.01
    p-xylene 524.97
    chlorobenzene 863.8
    dimethyl carbonate 344.86
    n-octane 80.49
    formamide 242.23
    cyclopentanone 1429.88
    2-pentanone 915.71
    anisole 639.31
    cyclopentyl methyl ether 1175.74
    gamma-butyrolactone 1425.64
    1-methoxy-2-propanol 774.84
    pyridine 1073.11
    3-pentanone 696.58
    furfural 1028.72
    n-dodecane 67.36
    diethylene glycol 572.26
    diisopropyl ether 364.83
    tert-amyl alcohol 881.27
    acetylacetone 823.52
    n-hexadecane 76.55
    acetophenone 529.78
    methyl propionate 698.96
    isopentyl acetate 704.3
    trichloroethylene 2392.7
    n-nonanol 431.9
    cyclohexanol 1145.7
    benzyl alcohol 498.06
    2-ethylhexanol 573.72
    isooctanol 307.23
    dipropyl ether 630.76
    1,2-dichlorobenzene 747.08
    ethyl lactate 283.39
    propylene carbonate 967.65
    n-methylformamide 561.26
    2-pentanol 736.94
    n-pentane 291.29
    1-propoxy-2-propanol 715.31
    1-methoxy-2-propyl acetate 644.91
    2-(2-methoxypropoxy) propanol 530.09
    mesitylene 289.84
    ε-caprolactone 1289.36
    p-cymene 228.6
    epichlorohydrin 1435.35
    1,1,1-trichloroethane 1245.83
    2-aminoethanol 395.55
    morpholine-4-carbaldehyde 1178.4
    sulfolane 1456.07
    2,2,4-trimethylpentane 106.95
    2-methyltetrahydrofuran 1490.25
    n-hexyl acetate 874.94
    isooctane 84.36
    2-(2-butoxyethoxy)ethanol 707.02
    sec-butyl acetate 385.79
    tert-butyl acetate 615.06
    decalin 192.8
    glycerin 335.5
    diglyme 985.32
    acrylic acid 535.71
    isopropyl myristate 318.79
    n-butyric acid 1058.22
    acetyl acetate 598.65
    di(2-ethylhexyl) phthalate 304.14
    ethyl propionate 504.47
    nitromethane 1051.23
    1,2-diethoxyethane 664.54
    benzonitrile 677.08
    trioctyl phosphate 221.86
    1-bromopropane 1138.6
    gamma-valerolactone 1531.54
    n-decanol 310.22
    triethyl phosphate 256.93
    4-methyl-2-pentanol 391.11
    propionitrile 733.8
    vinylene carbonate 915.57
    1,1,2-trichlorotrifluoroethane 894.79
    DMS 556.0
    cumene 300.12
    2-octanol 306.08
    2-hexanone 712.08
    octyl acetate 419.55
    limonene 389.03
    1,2-dimethoxyethane 1105.71
    ethyl orthosilicate 246.47
    tributyl phosphate 296.42
    diacetone alcohol 609.49
    N,N-dimethylaniline 447.12
    acrylonitrile 693.76
    aniline 592.39
    1,3-propanediol 518.57
    bromobenzene 928.58
    dibromomethane 1989.61
    1,1,2,2-tetrachloroethane 2065.46
    2-methyl-cyclohexyl acetate 483.02
    tetrabutyl urea 394.63
    diisobutyl methanol 250.09
    2-phenylethanol 587.59
    styrene 498.74
    dioctyl adipate 448.27
    dimethyl sulfate 497.79
    ethyl butyrate 516.74
    methyl lactate 348.24
    butyl lactate 388.32
    diethyl carbonate 378.75
    propanediol butyl ether 562.62
    triethyl orthoformate 358.53
    p-tert-butyltoluene 220.89
    methyl 4-tert-butylbenzoate 500.65
    morpholine 1532.87
    tert-butylamine 740.59
    n-dodecanol 235.17
    dimethoxymethane 936.93
    ethylene carbonate 803.67
    cyrene 473.87
    2-ethoxyethyl acetate 526.64
    2-ethylhexyl acetate 557.15
    1,2,4-trichlorobenzene 784.44
    4-methylpyridine 1117.1
    dibutyl ether 610.7
    2,6-dimethyl-4-heptanol 250.09
    DEF 903.07
    dimethyl isosorbide 819.89
    tetrachloroethylene 1199.99
    eugenol 438.1
    triacetin 633.76
    span 80 534.69
    1,4-butanediol 279.64
    1,1-dichloroethane 1499.23
    2-methyl-1-pentanol 681.21
    methyl formate 528.35
    2-methyl-1-butanol 866.24
    n-decane 118.88
    butyronitrile 972.64
    3,7-dimethyl-1-octanol 436.5
    1-chlorooctane 424.48
    1-chlorotetradecane 162.81
    n-nonane 135.26
    undecane 84.64
    tert-butylcyclohexane 171.7
    cyclooctane 149.02
    cyclopentanol 970.67
    tetrahydropyran 1860.53
    tert-amyl methyl ether 682.27
    2,5,8-trioxanonane 766.23
    1-hexene 940.47
    2-isopropoxyethanol 450.82
    2,2,2-trifluoroethanol 260.1
    methyl butyrate 701.73

    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