Dimethyl phenylbutanol

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  • Identifiers

    CAS number
    2035-93-0

    Molecular formula
    C12H18O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 92.26%
    Green 82.95%
    Muguet 57.09%
    Lily 56.74%
    Rose 52.52%
    Fresh 49.14%
    Woody 40.42%
    Herbal 39.83%
    Leafy 37.76%
    Hyacinth 35.74%

     

    Flavor
    Green 74.59%
    Floral 73.0%
    Fresh 38.96%
    Citrus 36.36%
    Oily 36.28%
    Lily 34.69%
    Woody 33.57%
    Bitter 32.42%
    Mild 31.51%
    Sweet 31.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.56 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 119.88 ˚C est.

  • Synonyms

    • 4-Methyl-4-phenylpentan-2-ol
    • 2035-93-0
    • dimethyl phenylbutanol
    • Benzenepropanol, alpha,gamma,gamma-trimethyl-
    • 4-Methyl-4-phenyl-2-pentanol
    • 4-Phenyl-4,4-dimethyl-2-butanol
    • M44D8GBX7A
    • Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-
    • EINECS 218-002-7
    • NSC 245167
    • NSC-245167
    • SYMDEO MPP 161744
    • DTXSID20883711
    • 2-PENTANOL, 4-METHYL-4-PHENYL-
    • (+/-)-4-METHYL-4-PHENYL-2-PENTANOL
    • 4-METHYL-4-PHENYL-2-PENTANOL, (+/-)-
    • UNII-M44D8GBX7A
    • alpha,gamma,gamma-Trimethylbenzenepropanol; 4-Methyl-4-phenyl-2-pentanol; NSC 245167; SymDeo MPP; Vetikol;
    • NSC245167
    • Me2CPhCH2CH(OH)Me
    • SCHEMBL113841
    • DTXCID201023209
    • DIMETHYL PHENYLBUTANOL [INCI]
    • AKOS009939699
    • BS-49690
    • Benzenepropanol,.gamma.,.gamma.-trimethyl-
    • DB-340359
    • CS-0196968
    • NS00045812
    • E78013
    • EN300-1860766
    • Q27283467
    • Z445987050

  • Applications

    Dimethyl phenylbutanol (CAS 2035-93-0) is used primarily as an intermediate and solvent in organic synthesis. In practice, it is commonly considered in formulation as a fragrance ingredient or fixative for perfumery, and as a solvent or carrier in cosmetics and personal care products. It can serve as a low-volatility solvent component in coatings and inks, and as a processing aid or intermediate in industrial manufacturing of other chemicals. It may also find application in cleaning products as a solvent and in plastics and polymer formulation where it helps dissolve or blend components. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2428.73
    methanol 2627.1
    isopropanol 1899.18
    water 1.51
    ethyl acetate 1340.98
    n-propanol 2335.27
    acetone 1902.06
    n-butanol 1907.05
    acetonitrile 1760.49
    DMF 1372.52
    toluene 512.54
    isobutanol 1568.12
    1,4-dioxane 2705.08
    methyl acetate 1278.46
    THF 3602.34
    2-butanone 1357.1
    n-pentanol 968.16
    sec-butanol 1333.63
    n-hexane 530.0
    ethylene glycol 296.25
    NMP 973.74
    cyclohexane 492.45
    DMSO 1096.02
    n-butyl acetate 1056.65
    n-octanol 516.86
    chloroform 1735.5
    n-propyl acetate 618.18
    acetic acid 737.92
    dichloromethane 1279.65
    cyclohexanone 1718.98
    propylene glycol 460.82
    isopropyl acetate 726.76
    DMAc 743.76
    2-ethoxyethanol 776.61
    isopentanol 1225.85
    n-heptane 318.27
    ethyl formate 734.29
    1,2-dichloroethane 1070.77
    n-hexanol 2086.93
    2-methoxyethanol 1511.98
    isobutyl acetate 416.7
    tetrachloromethane 341.21
    n-pentyl acetate 376.41
    transcutol 1789.29
    n-heptanol 561.01
    ethylbenzene 256.9
    MIBK 661.88
    2-propoxyethanol 1722.22
    tert-butanol 1914.12
    MTBE 1872.86
    2-butoxyethanol 638.18
    propionic acid 981.56
    o-xylene 285.27
    formic acid 248.05
    diethyl ether 2353.95
    m-xylene 375.6
    p-xylene 295.24
    chlorobenzene 540.94
    dimethyl carbonate 332.41
    n-octane 91.96
    formamide 295.55
    cyclopentanone 1790.83
    2-pentanone 1283.72
    anisole 441.26
    cyclopentyl methyl ether 1619.25
    gamma-butyrolactone 1761.54
    1-methoxy-2-propanol 1152.42
    pyridine 930.08
    3-pentanone 922.74
    furfural 787.72
    n-dodecane 55.45
    diethylene glycol 805.17
    diisopropyl ether 553.84
    tert-amyl alcohol 1131.3
    acetylacetone 751.99
    n-hexadecane 63.61
    acetophenone 310.28
    methyl propionate 1003.05
    isopentyl acetate 776.37
    trichloroethylene 1362.2
    n-nonanol 405.18
    cyclohexanol 1239.41
    benzyl alcohol 316.99
    2-ethylhexanol 812.36
    isooctanol 380.52
    dipropyl ether 1238.39
    1,2-dichlorobenzene 364.59
    ethyl lactate 233.61
    propylene carbonate 801.81
    n-methylformamide 872.89
    2-pentanol 1125.99
    n-pentane 439.03
    1-propoxy-2-propanol 1144.94
    1-methoxy-2-propyl acetate 743.01
    2-(2-methoxypropoxy) propanol 380.13
    mesitylene 240.13
    ε-caprolactone 1202.97
    p-cymene 182.26
    epichlorohydrin 1577.55
    1,1,1-trichloroethane 995.87
    2-aminoethanol 695.22
    morpholine-4-carbaldehyde 1144.41
    sulfolane 1331.84
    2,2,4-trimethylpentane 137.91
    2-methyltetrahydrofuran 2378.06
    n-hexyl acetate 650.51
    isooctane 126.99
    2-(2-butoxyethoxy)ethanol 644.68
    sec-butyl acetate 384.03
    tert-butyl acetate 738.76
    decalin 154.38
    glycerin 442.78
    diglyme 1097.03
    acrylic acid 559.36
    isopropyl myristate 220.74
    n-butyric acid 1250.0
    acetyl acetate 487.01
    di(2-ethylhexyl) phthalate 165.97
    ethyl propionate 533.33
    nitromethane 1100.16
    1,2-diethoxyethane 877.12
    benzonitrile 423.92
    trioctyl phosphate 156.16
    1-bromopropane 1049.28
    gamma-valerolactone 1636.59
    n-decanol 291.86
    triethyl phosphate 182.35
    4-methyl-2-pentanol 529.2
    propionitrile 1528.38
    vinylene carbonate 616.65
    1,1,2-trichlorotrifluoroethane 691.13
    DMS 348.17
    cumene 184.95
    2-octanol 332.07
    2-hexanone 761.25
    octyl acetate 286.53
    limonene 370.25
    1,2-dimethoxyethane 1382.6
    ethyl orthosilicate 200.08
    tributyl phosphate 192.3
    diacetone alcohol 712.6
    N,N-dimethylaniline 277.55
    acrylonitrile 1050.03
    aniline 556.42
    1,3-propanediol 849.13
    bromobenzene 511.99
    dibromomethane 1079.17
    1,1,2,2-tetrachloroethane 1168.09
    2-methyl-cyclohexyl acetate 380.01
    tetrabutyl urea 226.6
    diisobutyl methanol 359.22
    2-phenylethanol 483.52
    styrene 275.81
    dioctyl adipate 243.72
    dimethyl sulfate 374.03
    ethyl butyrate 566.82
    methyl lactate 356.57
    butyl lactate 286.67
    diethyl carbonate 292.64
    propanediol butyl ether 501.76
    triethyl orthoformate 349.59
    p-tert-butyltoluene 195.27
    methyl 4-tert-butylbenzoate 299.79
    morpholine 2887.13
    tert-butylamine 1414.04
    n-dodecanol 218.92
    dimethoxymethane 1295.57
    ethylene carbonate 631.13
    cyrene 323.33
    2-ethoxyethyl acetate 455.52
    2-ethylhexyl acetate 578.92
    1,2,4-trichlorobenzene 389.27
    4-methylpyridine 1000.42
    dibutyl ether 663.99
    2,6-dimethyl-4-heptanol 359.22
    DEF 1009.04
    dimethyl isosorbide 603.17
    tetrachloroethylene 741.48
    eugenol 276.99
    triacetin 339.47
    span 80 400.28
    1,4-butanediol 322.27
    1,1-dichloroethane 1298.83
    2-methyl-1-pentanol 631.44
    methyl formate 673.79
    2-methyl-1-butanol 1142.59
    n-decane 109.53
    butyronitrile 1675.13
    3,7-dimethyl-1-octanol 423.06
    1-chlorooctane 357.19
    1-chlorotetradecane 118.73
    n-nonane 127.02
    undecane 75.4
    tert-butylcyclohexane 167.13
    cyclooctane 171.44
    cyclopentanol 1191.72
    tetrahydropyran 3230.13
    tert-amyl methyl ether 1002.0
    2,5,8-trioxanonane 602.22
    1-hexene 1098.98
    2-isopropoxyethanol 570.19
    2,2,2-trifluoroethanol 218.3
    methyl butyrate 680.62

    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