Benzeneethanol, alpha-(2-methylpropyl)-, acetate

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  • Identifiers

    CAS number
    74203-96-6

    Molecular formula
    C14H20O2

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

  • Odor profile

    Fragrance
    Floral 85.31%
    Green 70.52%
    Sweet 58.89%
    Rose 53.18%
    Herbal 52.18%
    Balsamic 43.36%
    Fresh 41.87%
    Honey 41.39%
    Lily 39.61%
    Fruity 39.26%

     

    Flavor
    Sweet 71.91%
    Floral 66.79%
    Green 55.72%
    Fruity 50.35%
    Bitter 43.64%
    Tropical 43.13%
    Rose 42.62%
    Herbal 40.02%
    Fresh 35.04%
    Honey 32.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.25 (weak base)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 120.62 ˚C est.

  • Synonyms

    • 1-Benzyl-3-methylbutyl acetate
    • 74203-96-6
    • EINECS 277-765-4
    • Benzeneethanol, alpha-(2-methylpropyl)-, acetate
    • Benzeneethanol, .alpha.-(2-methylpropyl)-, acetate
    • DTXSID00995684
    • 2-Pentanol, 4-methyl-1-phenyl, acetate
    • NS00059528
    • 4-METHYL-1-PHENYLPENTAN-2-YL ACETATE

  • Applications

    Benzeneethanol, alpha-(2-methylpropyl)-, acetate (CAS 74203-96-6) is primarily used as a fragrance ingredient and aroma compound in perfumery and cosmetics, contributing distinctive notes depending on the substituent. It may serve as a fixative to improve scent longevity in formulations. It is also employed in household products such as air fresheners and cleaners to impart pleasant fragrances. In the flavor industry, related esters are evaluated as aroma components within regulatory limits. Additionally, it may function as an intermediate in the industrial synthesis of other fragrance materials. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2677.85
    methanol 3764.31
    isopropanol 1486.04
    water 2.58
    ethyl acetate 980.0
    n-propanol 1634.88
    acetone 1684.42
    n-butanol 1465.93
    acetonitrile 1022.04
    DMF 1782.5
    toluene 440.09
    isobutanol 1117.01
    1,4-dioxane 2340.26
    methyl acetate 762.15
    THF 2266.36
    2-butanone 925.18
    n-pentanol 957.46
    sec-butanol 1057.36
    n-hexane 169.79
    ethylene glycol 362.3
    NMP 1301.47
    cyclohexane 262.68
    DMSO 1610.46
    n-butyl acetate 751.58
    n-octanol 298.94
    chloroform 2818.6
    n-propyl acetate 539.27
    acetic acid 1408.36
    dichloromethane 2073.63
    cyclohexanone 1649.14
    propylene glycol 633.42
    isopropyl acetate 625.64
    DMAc 1289.11
    2-ethoxyethanol 869.19
    isopentanol 1015.54
    n-heptane 67.02
    ethyl formate 619.81
    1,2-dichloroethane 1371.26
    n-hexanol 999.53
    2-methoxyethanol 1665.88
    isobutyl acetate 392.24
    tetrachloromethane 242.62
    n-pentyl acetate 338.86
    transcutol 2877.63
    n-heptanol 278.68
    ethylbenzene 226.49
    MIBK 493.14
    2-propoxyethanol 1289.47
    tert-butanol 1221.1
    MTBE 845.89
    2-butoxyethanol 504.7
    propionic acid 965.77
    o-xylene 237.32
    formic acid 504.76
    diethyl ether 1213.9
    m-xylene 283.58
    p-xylene 299.89
    chlorobenzene 665.98
    dimethyl carbonate 277.48
    n-octane 22.44
    formamide 527.77
    cyclopentanone 1339.81
    2-pentanone 864.94
    anisole 479.8
    cyclopentyl methyl ether 993.92
    gamma-butyrolactone 1437.02
    1-methoxy-2-propanol 1109.52
    pyridine 1216.11
    3-pentanone 551.02
    furfural 1082.31
    n-dodecane 20.56
    diethylene glycol 821.54
    diisopropyl ether 270.34
    tert-amyl alcohol 866.69
    acetylacetone 810.48
    n-hexadecane 23.84
    acetophenone 413.52
    methyl propionate 636.72
    isopentyl acetate 634.12
    trichloroethylene 2199.26
    n-nonanol 249.85
    cyclohexanol 1160.83
    benzyl alcohol 490.88
    2-ethylhexanol 423.63
    isooctanol 209.6
    dipropyl ether 499.18
    1,2-dichlorobenzene 527.76
    ethyl lactate 244.4
    propylene carbonate 880.8
    n-methylformamide 847.37
    2-pentanol 793.93
    n-pentane 124.1
    1-propoxy-2-propanol 770.38
    1-methoxy-2-propyl acetate 626.67
    2-(2-methoxypropoxy) propanol 467.9
    mesitylene 168.27
    ε-caprolactone 1174.25
    p-cymene 133.2
    epichlorohydrin 1639.66
    1,1,1-trichloroethane 986.45
    2-aminoethanol 859.11
    morpholine-4-carbaldehyde 1405.58
    sulfolane 1293.93
    2,2,4-trimethylpentane 51.5
    2-methyltetrahydrofuran 1548.25
    n-hexyl acetate 558.85
    isooctane 38.42
    2-(2-butoxyethoxy)ethanol 755.93
    sec-butyl acetate 357.72
    tert-butyl acetate 566.08
    decalin 88.01
    glycerin 580.03
    diglyme 1249.07
    acrylic acid 682.64
    isopropyl myristate 200.55
    n-butyric acid 1395.05
    acetyl acetate 593.6
    di(2-ethylhexyl) phthalate 222.46
    ethyl propionate 416.56
    nitromethane 1410.89
    1,2-diethoxyethane 738.73
    benzonitrile 555.7
    trioctyl phosphate 151.69
    1-bromopropane 817.62
    gamma-valerolactone 1875.81
    n-decanol 179.74
    triethyl phosphate 189.56
    4-methyl-2-pentanol 350.64
    propionitrile 676.45
    vinylene carbonate 793.18
    1,1,2-trichlorotrifluoroethane 1093.17
    DMS 422.76
    cumene 155.56
    2-octanol 175.8
    2-hexanone 613.01
    octyl acetate 270.49
    limonene 238.89
    1,2-dimethoxyethane 1363.45
    ethyl orthosilicate 193.85
    tributyl phosphate 206.25
    diacetone alcohol 630.92
    N,N-dimethylaniline 317.63
    acrylonitrile 675.95
    aniline 670.27
    1,3-propanediol 1045.68
    bromobenzene 652.67
    dibromomethane 1410.8
    1,1,2,2-tetrachloroethane 1867.33
    2-methyl-cyclohexyl acetate 376.73
    tetrabutyl urea 247.46
    diisobutyl methanol 192.39
    2-phenylethanol 503.98
    styrene 300.83
    dioctyl adipate 311.29
    dimethyl sulfate 365.83
    ethyl butyrate 429.93
    methyl lactate 341.9
    butyl lactate 318.78
    diethyl carbonate 284.33
    propanediol butyl ether 542.11
    triethyl orthoformate 303.85
    p-tert-butyltoluene 125.46
    methyl 4-tert-butylbenzoate 344.31
    morpholine 2669.67
    tert-butylamine 752.42
    n-dodecanol 137.28
    dimethoxymethane 1070.43
    ethylene carbonate 744.53
    cyrene 403.17
    2-ethoxyethyl acetate 485.09
    2-ethylhexyl acetate 464.71
    1,2,4-trichlorobenzene 609.22
    4-methylpyridine 1172.19
    dibutyl ether 409.8
    2,6-dimethyl-4-heptanol 192.39
    DEF 905.24
    dimethyl isosorbide 716.62
    tetrachloroethylene 1180.38
    eugenol 349.64
    triacetin 490.74
    span 80 466.91
    1,4-butanediol 435.48
    1,1-dichloroethane 1237.36
    2-methyl-1-pentanol 727.81
    methyl formate 609.99
    2-methyl-1-butanol 954.18
    n-decane 36.34
    butyronitrile 902.62
    3,7-dimethyl-1-octanol 282.22
    1-chlorooctane 191.41
    1-chlorotetradecane 71.36
    n-nonane 36.67
    undecane 25.93
    tert-butylcyclohexane 78.18
    cyclooctane 62.54
    cyclopentanol 974.18
    tetrahydropyran 2183.78
    tert-amyl methyl ether 545.16
    2,5,8-trioxanonane 818.57
    1-hexene 617.2
    2-isopropoxyethanol 552.1
    2,2,2-trifluoroethanol 361.77
    methyl butyrate 617.41

    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