2-Hydroxy-2-methyl-5-phenylpentane

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  • Identifiers

    CAS number
    2979-70-6

    Molecular formula
    C12H18O

    SMILES
    CC(C)(CCCC1=CC=CC=C1)O

  • Odor profile

    Fragrance
    Floral 95.4%
    Green 78.08%
    Rose 72.75%
    Fresh 69.75%
    Lily 64.6%
    Sweet 59.85%
    Muguet 55.19%
    Herbal 53.76%
    Clean 43.83%
    Hyacinth 41.79%

     

    Flavor
    Floral 78.6%
    Green 73.26%
    Rose 58.2%
    Bitter 49.51%
    Oily 42.74%
    Waxy 38.43%
    Sweet 37.18%
    Clean 36.34%
    Lily 35.86%
    Mild 31.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.54 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    254°C

    Flash point

    • 119.54 ˚C est.

  • Synonyms

    • 2-methyl-5-phenylpentan-2-ol
    • 2979-70-6
    • 2-hydroxy-2-methyl-5-phenylpentane
    • 2-Methyl-5-phenyl-2-pentanol
    • Benzenebutanol, a,a-dimethyl-
    • DTXSID60323686
    • NSC404661
    • 1,1-dimethyl-4-phenylbutanol
    • SCHEMBL3804525
    • DTXCID80274803
    • VLVIXHCNKDTNEL-UHFFFAOYSA-N
    • 2-Hydroxy-2-methyl-5-penylpentane
    • MFCD19347554
    • AKOS014313295
    • NSC-404661
    • SB84152
    • BS-32233
    • CS-0210402
    • EN300-1862158

  • Applications

    2-Hydroxy-2-methyl-5-phenylpentane (CAS 2979-70-6) is used primarily as a synthetic intermediate in fragrance chemistry and related industries; it can serve as an odorant or fragrance component in perfumery, a building block for aroma formulations in cosmetics and personal care, and a functional ingredient in household products such as cleaners and detergents to contribute a scent profile. In industrial manufacturing it is evaluated as a versatile chiral alcohol building block for the preparation of specialty chemicals and polymers, and in pharmaceutical or agrochemical development it may be employed as a synthetic intermediate for constructing more complex molecules, subject to formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2515.19
    methanol 2525.24
    isopropanol 1542.09
    water 2.35
    ethyl acetate 1445.13
    n-propanol 1706.03
    acetone 1406.47
    n-butanol 1616.64
    acetonitrile 912.55
    DMF 871.14
    toluene 342.31
    isobutanol 933.72
    1,4-dioxane 2402.04
    methyl acetate 1036.64
    THF 2060.12
    2-butanone 1037.44
    n-pentanol 1156.31
    sec-butanol 1077.02
    n-hexane 500.96
    ethylene glycol 369.83
    NMP 474.17
    cyclohexane 337.09
    DMSO 869.77
    n-butyl acetate 1093.13
    n-octanol 457.15
    chloroform 1280.74
    n-propyl acetate 715.22
    acetic acid 954.93
    dichloromethane 826.68
    cyclohexanone 908.77
    propylene glycol 643.71
    isopropyl acetate 853.75
    DMAc 879.0
    2-ethoxyethanol 1502.64
    isopentanol 1121.8
    n-heptane 309.22
    ethyl formate 531.59
    1,2-dichloroethane 647.24
    n-hexanol 1641.62
    2-methoxyethanol 2053.78
    isobutyl acetate 487.45
    tetrachloromethane 221.59
    n-pentyl acetate 396.27
    transcutol 4331.03
    n-heptanol 500.54
    ethylbenzene 193.03
    MIBK 587.12
    2-propoxyethanol 2207.54
    tert-butanol 1534.02
    MTBE 1747.16
    2-butoxyethanol 855.05
    propionic acid 839.59
    o-xylene 202.6
    formic acid 341.99
    diethyl ether 2240.36
    m-xylene 243.21
    p-xylene 221.44
    chlorobenzene 327.86
    dimethyl carbonate 273.69
    n-octane 80.38
    formamide 383.24
    cyclopentanone 744.38
    2-pentanone 1006.28
    anisole 461.43
    cyclopentyl methyl ether 977.03
    gamma-butyrolactone 767.14
    1-methoxy-2-propanol 1436.21
    pyridine 767.65
    3-pentanone 746.59
    furfural 566.37
    n-dodecane 47.45
    diethylene glycol 1281.92
    diisopropyl ether 655.69
    tert-amyl alcohol 1120.14
    acetylacetone 720.15
    n-hexadecane 52.92
    acetophenone 313.78
    methyl propionate 850.98
    isopentyl acetate 850.08
    trichloroethylene 911.2
    n-nonanol 405.6
    cyclohexanol 854.11
    benzyl alcohol 346.09
    2-ethylhexanol 799.86
    isooctanol 351.4
    dipropyl ether 1451.75
    1,2-dichlorobenzene 252.0
    ethyl lactate 328.77
    propylene carbonate 490.9
    n-methylformamide 576.53
    2-pentanol 1001.19
    n-pentane 338.59
    1-propoxy-2-propanol 1482.39
    1-methoxy-2-propyl acetate 1044.12
    2-(2-methoxypropoxy) propanol 656.65
    mesitylene 161.94
    ε-caprolactone 832.59
    p-cymene 153.84
    epichlorohydrin 989.55
    1,1,1-trichloroethane 612.04
    2-aminoethanol 883.96
    morpholine-4-carbaldehyde 1039.94
    sulfolane 587.75
    2,2,4-trimethylpentane 124.03
    2-methyltetrahydrofuran 1397.73
    n-hexyl acetate 658.57
    isooctane 108.58
    2-(2-butoxyethoxy)ethanol 1160.24
    sec-butyl acetate 528.1
    tert-butyl acetate 833.5
    decalin 139.27
    glycerin 677.26
    diglyme 1782.96
    acrylic acid 507.88
    isopropyl myristate 241.17
    n-butyric acid 1227.51
    acetyl acetate 586.27
    di(2-ethylhexyl) phthalate 202.01
    ethyl propionate 609.71
    nitromethane 894.44
    1,2-diethoxyethane 1546.46
    benzonitrile 334.2
    trioctyl phosphate 153.4
    1-bromopropane 654.52
    gamma-valerolactone 1096.94
    n-decanol 295.22
    triethyl phosphate 234.03
    4-methyl-2-pentanol 557.77
    propionitrile 769.58
    vinylene carbonate 413.0
    1,1,2-trichlorotrifluoroethane 766.05
    DMS 387.57
    cumene 149.67
    2-octanol 270.94
    2-hexanone 733.83
    octyl acetate 293.42
    limonene 302.1
    1,2-dimethoxyethane 1926.32
    ethyl orthosilicate 282.12
    tributyl phosphate 211.32
    diacetone alcohol 748.41
    N,N-dimethylaniline 308.66
    acrylonitrile 576.84
    aniline 494.14
    1,3-propanediol 1117.81
    bromobenzene 297.84
    dibromomethane 662.65
    1,1,2,2-tetrachloroethane 914.88
    2-methyl-cyclohexyl acetate 436.35
    tetrabutyl urea 249.97
    diisobutyl methanol 361.89
    2-phenylethanol 516.38
    styrene 235.72
    dioctyl adipate 306.67
    dimethyl sulfate 263.51
    ethyl butyrate 700.16
    methyl lactate 401.39
    butyl lactate 344.66
    diethyl carbonate 383.59
    propanediol butyl ether 700.81
    triethyl orthoformate 538.49
    p-tert-butyltoluene 169.17
    methyl 4-tert-butylbenzoate 320.31
    morpholine 2600.5
    tert-butylamine 1113.43
    n-dodecanol 223.82
    dimethoxymethane 1128.6
    ethylene carbonate 455.53
    cyrene 371.7
    2-ethoxyethyl acetate 585.58
    2-ethylhexyl acetate 661.41
    1,2,4-trichlorobenzene 300.41
    4-methylpyridine 658.75
    dibutyl ether 860.04
    2,6-dimethyl-4-heptanol 361.89
    DEF 866.54
    dimethyl isosorbide 753.92
    tetrachloroethylene 623.86
    eugenol 321.83
    triacetin 494.3
    span 80 590.31
    1,4-butanediol 501.66
    1,1-dichloroethane 704.63
    2-methyl-1-pentanol 792.27
    methyl formate 375.05
    2-methyl-1-butanol 953.92
    n-decane 97.17
    butyronitrile 894.89
    3,7-dimethyl-1-octanol 456.79
    1-chlorooctane 289.53
    1-chlorotetradecane 105.91
    n-nonane 105.74
    undecane 64.3
    tert-butylcyclohexane 155.44
    cyclooctane 130.22
    cyclopentanol 601.45
    tetrahydropyran 2104.94
    tert-amyl methyl ether 1081.76
    2,5,8-trioxanonane 1097.15
    1-hexene 1040.05
    2-isopropoxyethanol 978.98
    2,2,2-trifluoroethanol 210.96
    methyl butyrate 684.14

    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