Benzeneethanol, alpha-methyl-, 1-acetate

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  • Identifiers

    CAS number
    2114-33-2

    Molecular formula
    C11H14O2

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

  • Odor profile

    Fragrance
    Floral 82.98%
    Green 75.74%
    Sweet 66.55%
    Fruity 63.26%
    Rose 47.29%
    Fresh 47.23%
    Hyacinth 44.27%
    Balsamic 43.38%
    Honey 43.33%
    Herbal 43.13%

     

    Flavor
    Sweet 91.35%
    Floral 76.24%
    Bitter 58.9%
    Fruity 58.11%
    Rose 50.75%
    Green 45.17%
    Honey 42.43%
    Herbal 42.29%
    Tropical 40.96%
    Fresh 38.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.78 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 109.64 ˚C est.

  • Synonyms

    • 2114-33-2
    • 1-phenylpropan-2-yl acetate
    • 2-Acetoxy-1-phenylpropane
    • 1-methyl-2-phenylethyl acetate
    • 1-Phenyl-2-propanol acetate
    • Benzeneethanol, alpha-methyl-, 1-acetate
    • Methylbenzylcarbinyl acetate
    • Benzylmethylcarbinyl acetate
    • EINECS 218-314-3
    • alpha-Methyl-beta-phenylethyl acetate
    • NSC 30160
    • Phenethyl alcohol, alpha-methyl-, acetate
    • AI3-35576
    • DTXSID30862835
    • ACETIC ACID, alpha-METHYL-PHENETHYL ESTER
    • NSC-30160
    • Benzeneethanol, .alpha.-methyl-, 1-acetate
    • alpha-Methylphenethyl acetate
    • MFCD01672540
    • Benzeneethanol, alpha-methyl-, acetate
    • 2-acetoxypropyl benzene
    • Acetic Acid 1-Methyl-2-phenylethyl Ester
    • 2-phenyl-isopropyl acetate
    • 1-phenylpropan-2-ylacetate
    • X6UW5YA3X6
    • methyl benzyl carbinyl acetate
    • SCHEMBL3505882
    • DTXCID00811552
    • METHYLBENZYL CARBINYL ACETATE
    • NSC30160
    • AKOS025294900
    • Benzeneethanol, .alpha.-methyl-, acetate
    • CS-0449529
    • M1495
    • NS00012854
    • T72070

  • Applications

    Chemical name: Benzeneethanol, alpha-methyl-, 1-acetate; CAS number: 2114-33-2. This compound is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, and may also function as a fragrance fixative in certain formulations. It is employed in household products and cleaning formulations as a fragrance additive. In industrial manufacturing, it serves as an intermediate for the synthesis of other aromatic esters and fragrance-related compounds used in coatings, inks, and plastics. It can also be used as a general chemical intermediate for broader industrial applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 868.37
    methanol 1296.05
    isopropanol 512.56
    water 7.45
    ethyl acetate 408.99
    n-propanol 580.9
    acetone 790.13
    n-butanol 499.34
    acetonitrile 559.44
    DMF 1255.93
    toluene 180.53
    isobutanol 374.72
    1,4-dioxane 1082.66
    methyl acetate 432.16
    THF 987.73
    2-butanone 423.29
    n-pentanol 334.13
    sec-butanol 374.21
    n-hexane 57.55
    ethylene glycol 317.44
    NMP 888.15
    cyclohexane 58.5
    DMSO 1224.03
    n-butyl acetate 229.54
    n-octanol 116.51
    chloroform 1279.6
    n-propyl acetate 181.8
    acetic acid 890.68
    dichloromethane 1045.76
    cyclohexanone 615.65
    propylene glycol 340.34
    isopropyl acetate 219.35
    DMAc 1085.4
    2-ethoxyethanol 475.71
    isopentanol 365.44
    n-heptane 19.72
    ethyl formate 249.3
    1,2-dichloroethane 621.51
    n-hexanol 285.2
    2-methoxyethanol 905.93
    isobutyl acetate 133.04
    tetrachloromethane 96.45
    n-pentyl acetate 116.12
    transcutol 1698.52
    n-heptanol 85.94
    ethylbenzene 88.9
    MIBK 202.79
    2-propoxyethanol 544.06
    tert-butanol 526.93
    MTBE 368.91
    2-butoxyethanol 194.52
    propionic acid 479.38
    o-xylene 109.59
    formic acid 426.18
    diethyl ether 504.41
    m-xylene 123.24
    p-xylene 107.15
    chlorobenzene 284.37
    dimethyl carbonate 196.41
    n-octane 7.58
    formamide 469.19
    cyclopentanone 599.18
    2-pentanone 341.57
    anisole 254.55
    cyclopentyl methyl ether 433.46
    gamma-butyrolactone 699.45
    1-methoxy-2-propanol 585.64
    pyridine 523.11
    3-pentanone 281.45
    furfural 602.15
    n-dodecane 8.54
    diethylene glycol 487.22
    diisopropyl ether 98.16
    tert-amyl alcohol 361.98
    acetylacetone 406.3
    n-hexadecane 9.76
    acetophenone 207.05
    methyl propionate 358.48
    isopentyl acetate 208.23
    trichloroethylene 1026.09
    n-nonanol 100.81
    cyclohexanol 392.36
    benzyl alcohol 225.18
    2-ethylhexanol 136.07
    isooctanol 68.81
    dipropyl ether 165.51
    1,2-dichlorobenzene 244.42
    ethyl lactate 122.65
    propylene carbonate 367.47
    n-methylformamide 527.51
    2-pentanol 247.34
    n-pentane 38.98
    1-propoxy-2-propanol 297.1
    1-methoxy-2-propyl acetate 282.85
    2-(2-methoxypropoxy) propanol 263.01
    mesitylene 71.67
    ε-caprolactone 487.19
    p-cymene 52.72
    epichlorohydrin 829.89
    1,1,1-trichloroethane 436.25
    2-aminoethanol 481.9
    morpholine-4-carbaldehyde 892.74
    sulfolane 821.28
    2,2,4-trimethylpentane 20.95
    2-methyltetrahydrofuran 642.05
    n-hexyl acetate 224.2
    isooctane 14.04
    2-(2-butoxyethoxy)ethanol 384.91
    sec-butyl acetate 133.64
    tert-butyl acetate 250.12
    decalin 34.45
    glycerin 430.49
    diglyme 642.93
    acrylic acid 418.29
    isopropyl myristate 81.73
    n-butyric acid 491.06
    acetyl acetate 270.77
    di(2-ethylhexyl) phthalate 98.39
    ethyl propionate 178.63
    nitromethane 1018.26
    1,2-diethoxyethane 358.69
    benzonitrile 254.51
    trioctyl phosphate 60.84
    1-bromopropane 336.7
    gamma-valerolactone 834.05
    n-decanol 73.74
    triethyl phosphate 97.61
    4-methyl-2-pentanol 125.4
    propionitrile 354.92
    vinylene carbonate 360.32
    1,1,2-trichlorotrifluoroethane 571.02
    DMS 239.93
    cumene 66.53
    2-octanol 58.23
    2-hexanone 219.95
    octyl acetate 107.96
    limonene 88.32
    1,2-dimethoxyethane 694.22
    ethyl orthosilicate 94.93
    tributyl phosphate 91.78
    diacetone alcohol 312.66
    N,N-dimethylaniline 170.03
    acrylonitrile 401.11
    aniline 303.53
    1,3-propanediol 502.97
    bromobenzene 270.7
    dibromomethane 631.86
    1,1,2,2-tetrachloroethane 875.06
    2-methyl-cyclohexyl acetate 149.79
    tetrabutyl urea 121.97
    diisobutyl methanol 70.88
    2-phenylethanol 195.66
    styrene 116.53
    dioctyl adipate 136.75
    dimethyl sulfate 320.76
    ethyl butyrate 151.25
    methyl lactate 209.37
    butyl lactate 120.86
    diethyl carbonate 126.4
    propanediol butyl ether 250.45
    triethyl orthoformate 123.83
    p-tert-butyltoluene 53.1
    methyl 4-tert-butylbenzoate 176.33
    morpholine 1115.07
    tert-butylamine 300.88
    n-dodecanol 55.68
    dimethoxymethane 637.93
    ethylene carbonate 306.23
    cyrene 240.62
    2-ethoxyethyl acetate 211.83
    2-ethylhexyl acetate 163.58
    1,2,4-trichlorobenzene 310.06
    4-methylpyridine 507.64
    dibutyl ether 153.71
    2,6-dimethyl-4-heptanol 70.88
    DEF 461.36
    dimethyl isosorbide 386.86
    tetrachloroethylene 494.23
    eugenol 189.89
    triacetin 250.76
    span 80 213.54
    1,4-butanediol 220.12
    1,1-dichloroethane 568.87
    2-methyl-1-pentanol 258.8
    methyl formate 364.62
    2-methyl-1-butanol 350.29
    n-decane 13.77
    butyronitrile 350.86
    3,7-dimethyl-1-octanol 115.97
    1-chlorooctane 73.6
    1-chlorotetradecane 29.61
    n-nonane 13.31
    undecane 10.52
    tert-butylcyclohexane 33.08
    cyclooctane 16.68
    cyclopentanol 367.42
    tetrahydropyran 759.18
    tert-amyl methyl ether 262.7
    2,5,8-trioxanonane 466.82
    1-hexene 184.12
    2-isopropoxyethanol 278.45
    2,2,2-trifluoroethanol 247.27
    methyl butyrate 226.7

    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