Phenol, 4-(1-methyl-1-phenylethyl)-, 1-acetate

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  • Identifiers

    CAS number
    24133-73-1

    Molecular formula
    C17H18O2

    SMILES
    CC(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 74.71%
    Green 50.73%
    Balsamic 45.14%
    Woody 43.63%
    Fresh 40.45%
    Fruity 39.67%
    Rose 38.35%
    Herbal 36.06%
    Sweet 34.88%
    Honey 34.13%

     

    Flavor
    Woody 57.96%
    Herbal 46.36%
    Sweet 38.79%
    Floral 37.97%
    Spice 29.74%
    Camphor 26.98%
    Balsam 26.96%
    Spicy 26.8%
    Green 25.63%
    Fresh 23.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.03 (weak base)

    Molecular weight
    254.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 172.46 ˚C est.

  • Synonyms

    • 24133-73-1
    • Phenol, 4-(1-methyl-1-phenylethyl)-, 1-acetate
    • NSC 6730
    • EINECS 246-026-8
    • Phenol, 4-(1-methyl-1-phenylethyl)-, acetate
    • AI3-17443
    • DTXSID20885255
    • Phenol, p-(alpha,alpha-dimethylbenzyl)-, acetate
    • RefChem:172802
    • DTXCID901024646
    • p-Cumylphenyl acetate
    • 4-(1-Methyl-1-phenylethyl)phenyl acetate
    • 4-(2-PHENYLPROPAN-2-YL)PHENYL ACETATE
    • SCHEMBL2335333
    • NSC6730
    • AWLNMOJGJLOVGR-UHFFFAOYSA-N
    • NSC-6730
    • Phenol,.alpha.-dimethylbenzyl)-, acetate
    • NS00051348
    • 24133-73-1

  • Applications

    Phenol, 4-(1-methyl-1-phenylethyl)-, 1-acetate (CAS 24133-73-1) is used primarily as a fragrance ingredient and fixative in perfumery; it also serves as a fragrance component in cosmetics and personal care products; it appears in formulations for household cleaning and laundry products to impart aroma; it is regarded as an intermediate in the synthesis of other fragrance compounds; and it may find use in coatings, inks, and other polymer materials where a fragrance attribute is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 187.44
    methanol 237.23
    isopropanol 95.45
    water 0.19
    ethyl acetate 274.3
    n-propanol 139.76
    acetone 481.59
    n-butanol 90.44
    acetonitrile 250.82
    DMF 1181.2
    toluene 73.26
    isobutanol 71.28
    1,4-dioxane 620.99
    methyl acetate 338.4
    THF 1134.73
    2-butanone 361.12
    n-pentanol 69.49
    sec-butanol 77.19
    n-hexane 5.48
    ethylene glycol 43.81
    NMP 506.9
    cyclohexane 3.96
    DMSO 710.59
    n-butyl acetate 140.17
    n-octanol 25.87
    chloroform 694.79
    n-propyl acetate 135.83
    acetic acid 108.41
    dichloromethane 738.99
    cyclohexanone 343.62
    propylene glycol 74.1
    isopropyl acetate 153.78
    DMAc 880.85
    2-ethoxyethanol 220.18
    isopentanol 72.77
    n-heptane 3.02
    ethyl formate 116.44
    1,2-dichloroethane 586.53
    n-hexanol 67.89
    2-methoxyethanol 416.42
    isobutyl acetate 98.64
    tetrachloromethane 30.4
    n-pentyl acetate 65.49
    transcutol 745.78
    n-heptanol 27.36
    ethylbenzene 46.79
    MIBK 137.5
    2-propoxyethanol 256.38
    tert-butanol 145.6
    MTBE 196.61
    2-butoxyethanol 89.55
    propionic acid 118.11
    o-xylene 42.14
    formic acid 54.08
    diethyl ether 269.27
    m-xylene 47.36
    p-xylene 57.0
    chlorobenzene 146.43
    dimethyl carbonate 198.73
    n-octane 2.03
    formamide 191.79
    cyclopentanone 637.81
    2-pentanone 246.96
    anisole 221.84
    cyclopentyl methyl ether 292.44
    gamma-butyrolactone 633.32
    1-methoxy-2-propanol 326.79
    pyridine 276.11
    3-pentanone 216.83
    furfural 371.05
    n-dodecane 2.28
    diethylene glycol 201.27
    diisopropyl ether 52.57
    tert-amyl alcohol 101.35
    acetylacetone 349.97
    n-hexadecane 2.71
    acetophenone 152.64
    methyl propionate 318.72
    isopentyl acetate 131.42
    trichloroethylene 843.21
    n-nonanol 26.58
    cyclohexanol 62.2
    benzyl alcohol 106.57
    2-ethylhexanol 42.35
    isooctanol 25.67
    dipropyl ether 91.42
    1,2-dichlorobenzene 139.7
    ethyl lactate 72.32
    propylene carbonate 223.1
    n-methylformamide 368.02
    2-pentanol 55.52
    n-pentane 2.55
    1-propoxy-2-propanol 146.0
    1-methoxy-2-propyl acetate 220.51
    2-(2-methoxypropoxy) propanol 136.12
    mesitylene 27.59
    ε-caprolactone 259.64
    p-cymene 26.81
    epichlorohydrin 1004.59
    1,1,1-trichloroethane 271.96
    2-aminoethanol 109.28
    morpholine-4-carbaldehyde 576.29
    sulfolane 648.28
    2,2,4-trimethylpentane 3.83
    2-methyltetrahydrofuran 444.79
    n-hexyl acetate 103.75
    isooctane 3.21
    2-(2-butoxyethoxy)ethanol 177.2
    sec-butyl acetate 105.26
    tert-butyl acetate 198.38
    decalin 6.82
    glycerin 108.79
    diglyme 400.52
    acrylic acid 100.79
    isopropyl myristate 44.5
    n-butyric acid 127.66
    acetyl acetate 154.08
    di(2-ethylhexyl) phthalate 47.45
    ethyl propionate 151.69
    nitromethane 461.03
    1,2-diethoxyethane 241.62
    benzonitrile 118.68
    trioctyl phosphate 27.87
    1-bromopropane 200.13
    gamma-valerolactone 675.77
    n-decanol 21.35
    triethyl phosphate 63.38
    4-methyl-2-pentanol 36.2
    propionitrile 175.22
    vinylene carbonate 205.91
    1,1,2-trichlorotrifluoroethane 325.58
    DMS 184.53
    cumene 32.95
    2-octanol 18.98
    2-hexanone 146.38
    octyl acetate 54.63
    limonene 37.49
    1,2-dimethoxyethane 438.9
    ethyl orthosilicate 59.37
    tributyl phosphate 43.78
    diacetone alcohol 197.48
    N,N-dimethylaniline 118.01
    acrylonitrile 231.24
    aniline 125.15
    1,3-propanediol 121.39
    bromobenzene 147.33
    dibromomethane 367.03
    1,1,2,2-tetrachloroethane 627.79
    2-methyl-cyclohexyl acetate 96.15
    tetrabutyl urea 57.68
    diisobutyl methanol 28.85
    2-phenylethanol 103.63
    styrene 64.34
    dioctyl adipate 75.19
    dimethyl sulfate 332.12
    ethyl butyrate 106.6
    methyl lactate 133.03
    butyl lactate 57.89
    diethyl carbonate 83.39
    propanediol butyl ether 77.9
    triethyl orthoformate 81.5
    p-tert-butyltoluene 28.41
    methyl 4-tert-butylbenzoate 115.44
    morpholine 698.83
    tert-butylamine 68.28
    n-dodecanol 17.41
    dimethoxymethane 773.19
    ethylene carbonate 169.1
    cyrene 146.2
    2-ethoxyethyl acetate 150.97
    2-ethylhexyl acetate 103.57
    1,2,4-trichlorobenzene 173.97
    4-methylpyridine 248.86
    dibutyl ether 65.72
    2,6-dimethyl-4-heptanol 28.85
    DEF 288.27
    dimethyl isosorbide 286.99
    tetrachloroethylene 268.89
    eugenol 110.26
    triacetin 142.82
    span 80 83.78
    1,4-butanediol 45.43
    1,1-dichloroethane 377.05
    2-methyl-1-pentanol 62.9
    methyl formate 252.05
    2-methyl-1-butanol 66.37
    n-decane 3.72
    butyronitrile 133.81
    3,7-dimethyl-1-octanol 34.7
    1-chlorooctane 24.66
    1-chlorotetradecane 10.57
    n-nonane 3.26
    undecane 2.87
    tert-butylcyclohexane 7.48
    cyclooctane 1.59
    cyclopentanol 93.76
    tetrahydropyran 385.81
    tert-amyl methyl ether 134.66
    2,5,8-trioxanonane 264.11
    1-hexene 43.35
    2-isopropoxyethanol 141.95
    2,2,2-trifluoroethanol 61.68
    methyl butyrate 163.32

    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