Benzenepropanol, alpha,beta-dimethyl-

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  • Identifiers

    CAS number
    56836-93-2

    Molecular formula
    C11H16O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 92.29%
    Green 72.63%
    Rose 56.05%
    Sweet 47.96%
    Lily 47.72%
    Fruity 42.73%
    Muguet 42.22%
    Hyacinth 39.41%
    Fresh 38.41%
    Earthy 34.1%

     

    Flavor
    Green 65.8%
    Floral 61.99%
    Sweet 59.68%
    Fresh 41.43%
    Mild 33.16%
    Herbal 33.07%
    Earthy 31.64%
    Tropical 31.57%
    Rose 29.59%
    Hyacinth 29.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.59 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 106.18 ˚C est.

  • Synonyms

    • 3-Methyl-4-phenylbutan-2-ol
    • 56836-93-2
    • 3-Methyl-4-phenyl-2-butanol
    • AI3-24792
    • EINECS 260-398-9
    • Benzenepropanol, alpha,beta-dimethyl-
    • Benzenepropanol, .alpha.,.beta.-dimethyl-
    • Muguesia
    • muguet butanol
    • SCHEMBL234669
    • DTXSID8052229
    • VSIXJPFQJMODCS-UHFFFAOYSA-N
    • AKOS011020521
    • DB-304761
    • NS00019675
    • EN300-1258709
    • 260-398-9
    • Starfleur

  • Applications

    Benzenepropanol, alpha,beta-dimethyl- (CAS 56836-93-2) is commonly used as an intermediate and building block in the synthesis of fragrance ingredients and aroma compounds; it can also serve as a component or solvent in cosmetic and personal care formulations. In household products, it may appear as a fragrance component in cleaners and air fresheners. In industrial manufacturing, it is used as a precursor for fragrance-related intermediates and other specialty chemicals; in polymers, coatings, and inks, it can act as a processing solvent or additive for formulation and processing. It may be used as a solvent or intermediate in cleaning formulations for industrial and consumer applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2061.53
    methanol 1205.07
    isopropanol 1699.45
    water 1.17
    ethyl acetate 1672.77
    n-propanol 1701.85
    acetone 1363.03
    n-butanol 1370.43
    acetonitrile 1546.39
    DMF 685.11
    toluene 306.24
    isobutanol 980.74
    1,4-dioxane 2160.67
    methyl acetate 1287.23
    THF 1569.55
    2-butanone 1312.62
    n-pentanol 819.29
    sec-butanol 1105.54
    n-hexane 142.61
    ethylene glycol 238.7
    NMP 286.11
    cyclohexane 131.16
    DMSO 878.01
    n-butyl acetate 1080.28
    n-octanol 274.46
    chloroform 1820.26
    n-propyl acetate 741.76
    acetic acid 762.22
    dichloromethane 1483.41
    cyclohexanone 904.76
    propylene glycol 480.43
    isopropyl acetate 701.41
    DMAc 560.68
    2-ethoxyethanol 928.47
    isopentanol 980.99
    n-heptane 103.38
    ethyl formate 808.3
    1,2-dichloroethane 1002.3
    n-hexanol 1150.19
    2-methoxyethanol 1510.04
    isobutyl acetate 415.66
    tetrachloromethane 226.2
    n-pentyl acetate 287.4
    transcutol 2366.31
    n-heptanol 324.95
    ethylbenzene 176.57
    MIBK 496.73
    2-propoxyethanol 1308.23
    tert-butanol 1732.16
    MTBE 1319.71
    2-butoxyethanol 552.65
    propionic acid 903.82
    o-xylene 172.86
    formic acid 176.06
    diethyl ether 1500.15
    m-xylene 203.28
    p-xylene 200.41
    chlorobenzene 369.8
    dimethyl carbonate 201.64
    n-octane 33.73
    formamide 305.66
    cyclopentanone 896.4
    2-pentanone 1012.31
    anisole 413.0
    cyclopentyl methyl ether 667.62
    gamma-butyrolactone 946.94
    1-methoxy-2-propanol 1087.92
    pyridine 965.0
    3-pentanone 651.01
    furfural 679.75
    n-dodecane 22.58
    diethylene glycol 702.79
    diisopropyl ether 317.19
    tert-amyl alcohol 965.88
    acetylacetone 674.93
    n-hexadecane 25.21
    acetophenone 288.79
    methyl propionate 802.02
    isopentyl acetate 741.91
    trichloroethylene 1511.76
    n-nonanol 223.77
    cyclohexanol 596.83
    benzyl alcohol 331.52
    2-ethylhexanol 553.74
    isooctanol 240.34
    dipropyl ether 835.08
    1,2-dichlorobenzene 266.41
    ethyl lactate 227.86
    propylene carbonate 552.79
    n-methylformamide 543.34
    2-pentanol 888.62
    n-pentane 106.57
    1-propoxy-2-propanol 956.23
    1-methoxy-2-propyl acetate 647.21
    2-(2-methoxypropoxy) propanol 347.28
    mesitylene 116.37
    ε-caprolactone 744.41
    p-cymene 122.43
    epichlorohydrin 1306.19
    1,1,1-trichloroethane 769.27
    2-aminoethanol 663.74
    morpholine-4-carbaldehyde 680.05
    sulfolane 604.34
    2,2,4-trimethylpentane 50.41
    2-methyltetrahydrofuran 1211.89
    n-hexyl acetate 389.13
    isooctane 50.44
    2-(2-butoxyethoxy)ethanol 583.75
    sec-butyl acetate 413.47
    tert-butyl acetate 546.79
    decalin 61.15
    glycerin 428.78
    diglyme 1020.56
    acrylic acid 523.75
    isopropyl myristate 149.14
    n-butyric acid 1351.7
    acetyl acetate 503.77
    di(2-ethylhexyl) phthalate 128.27
    ethyl propionate 543.5
    nitromethane 1130.34
    1,2-diethoxyethane 996.01
    benzonitrile 385.24
    trioctyl phosphate 100.09
    1-bromopropane 695.4
    gamma-valerolactone 1091.5
    n-decanol 169.5
    triethyl phosphate 156.7
    4-methyl-2-pentanol 412.03
    propionitrile 1215.15
    vinylene carbonate 479.26
    1,1,2-trichlorotrifluoroethane 629.34
    DMS 246.64
    cumene 121.66
    2-octanol 179.7
    2-hexanone 672.92
    octyl acetate 181.01
    limonene 205.41
    1,2-dimethoxyethane 1374.45
    ethyl orthosilicate 173.71
    tributyl phosphate 131.26
    diacetone alcohol 553.6
    N,N-dimethylaniline 213.57
    acrylonitrile 934.81
    aniline 452.47
    1,3-propanediol 912.06
    bromobenzene 358.15
    dibromomethane 998.43
    1,1,2,2-tetrachloroethane 1126.99
    2-methyl-cyclohexyl acetate 308.47
    tetrabutyl urea 151.45
    diisobutyl methanol 265.12
    2-phenylethanol 366.45
    styrene 221.64
    dioctyl adipate 185.53
    dimethyl sulfate 220.11
    ethyl butyrate 657.13
    methyl lactate 260.04
    butyl lactate 227.29
    diethyl carbonate 350.63
    propanediol butyl ether 401.43
    triethyl orthoformate 343.31
    p-tert-butyltoluene 121.38
    methyl 4-tert-butylbenzoate 227.87
    morpholine 2257.08
    tert-butylamine 1091.61
    n-dodecanol 130.91
    dimethoxymethane 760.42
    ethylene carbonate 494.06
    cyrene 238.31
    2-ethoxyethyl acetate 428.03
    2-ethylhexyl acetate 511.35
    1,2,4-trichlorobenzene 294.33
    4-methylpyridine 779.77
    dibutyl ether 416.93
    2,6-dimethyl-4-heptanol 265.12
    DEF 747.05
    dimethyl isosorbide 471.64
    tetrachloroethylene 730.57
    eugenol 231.92
    triacetin 302.81
    span 80 320.19
    1,4-butanediol 313.73
    1,1-dichloroethane 1206.46
    2-methyl-1-pentanol 558.03
    methyl formate 386.26
    2-methyl-1-butanol 789.41
    n-decane 42.73
    butyronitrile 1278.81
    3,7-dimethyl-1-octanol 271.33
    1-chlorooctane 162.94
    1-chlorotetradecane 57.08
    n-nonane 44.1
    undecane 29.78
    tert-butylcyclohexane 67.57
    cyclooctane 44.2
    cyclopentanol 541.29
    tetrahydropyran 1746.67
    tert-amyl methyl ether 621.8
    2,5,8-trioxanonane 578.04
    1-hexene 612.24
    2-isopropoxyethanol 628.16
    2,2,2-trifluoroethanol 178.53
    methyl butyrate 760.45

    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