3-Methyl-1-phenyl-3-pentanol

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  • Identifiers

    CAS number
    10415-87-9

    Molecular formula
    C12H18O

    SMILES
    CCC(C)(CCC1=CC=CC=C1)O

  • Odor profile

    Fragrance
    Floral 94.14%
    Sweet 76.8%
    Fruity 67.0%
    Rose 64.65%
    Fresh 54.25%
    Green 46.94%
    Lily 43.06%
    Balsamic 38.87%
    Honey 33.75%
    Hyacinth 33.17%

     

    Flavor
    Floral 78.5%
    Green 76.29%
    Sweet 49.81%
    Rose 49.21%
    Earthy 38.72%
    Oily 34.73%
    Waxy 33.35%
    Bitter 32.81%
    Fresh 32.71%
    Fruity 31.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.63 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 112.00 to 112.50 °C. @ 0.80 mm Hg

    Flash point

    • 112.71 ˚C est.

    Solubility expt.

    • very slightly
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-Methyl-1-phenyl-3-pentanol
    • 10415-87-9
    • 3-Methyl-1-phenylpentan-3-ol
    • 1-Phenyl-3-methyl-3-pentanol
    • Pemec
    • Phenethylmethylethylcarbinol
    • lilac pentanol
    • 3-Pentanol, 3-methyl-1-phenyl-
    • Phenylethyl methyl ethyl carbinol
    • Benzenepropanol, .alpha.-ethyl-.alpha.-methyl-
    • FEMA No. 2883
    • Benzenepropanol, alpha-ethyl-alpha-methyl-
    • EINECS 233-889-0
    • 53PK0CX9TS
    • NSC 60568
    • alpha-Ethyl-alpha-methylbenzenepropanol
    • BRN 2354074
    • AI3-24336
    • NSC-60568
    • DTXSID60864266
    • .beta.-Phenylethylmethylethylcarbinol
    • 3-METHYL-5-PHENYL-3-PENTANOL
    • PHENYLETHYL(ETHYL)METHYL CARBINOL
    • 1-PHENYL-3-METHYL-3-PENTANOL [FHFI]
    • (+/-)-3-METHYL-1-PHENYL-3-PENTANOL
    • (+/-)-5-PHENYL-3-METHYL-3-PENTANOL
    • UNII-53PK0CX9TS
    • MFCD00021825
    • R411
    • Ethylmethylphenethylcarbinol
    • phenylethylmethylethyl carbinol
    • SCHEMBL114480
    • a-Ethyl-a-methylbenzenepropanol
    • FEMA 2883
    • DTXCID80812805
    • CHEBI:172003
    • 3-Methyl-1-phenyl-3-pentanol #
    • NSC60568
    • AKOS009158614
    • 3-Methyl-1-phenyl-3-pentanol, 98%
    • 1-Phenyl-3-methyl-3-pentanol, >=98%
    • AS-59442
    • PHENYL ETHYL METHYL ETHYL CARBINOL*
    • CS-0329780
    • M2011
    • NS00013121
    • D91563
    • Q27261124
    • 233-889-0

  • Applications

    1-Phenyl-3-methyl-3-pentanol (CAS 10415-87-9) is a tertiary aromatic alcohol whose mild, slightly sweet odor makes it a useful fragrance modifier in fine perfumes, soaps, detergents, and cosmetics; beyond perfumery it serves as a versatile intermediate for the synthesis of antihistaminic and sedative APIs because its branched carbon skeleton couples readily to pyridine or piperidine rings, it is employed as a precursor for bioactive esters, a starting material in the manufacture of heat-resistant alkyd resins and polycarbonates, a co-solvent that enhances the solubility of poorly soluble drugs, a rheology modifier for solvent-borne inks and coatings, an emulsification aid in agrochemical formulations, and a model substrate in academic studies on selective hydrogenation catalysis and free-radical oxidation mechanisms in advanced organic chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2109.17
    methanol 1773.38
    isopropanol 1459.15
    water 1.38
    ethyl acetate 2301.2
    n-propanol 1499.1
    acetone 883.77
    n-butanol 1402.3
    acetonitrile 1170.84
    DMF 513.17
    toluene 382.54
    isobutanol 803.25
    1,4-dioxane 3122.23
    methyl acetate 1440.02
    THF 1787.42
    2-butanone 1117.71
    n-pentanol 931.27
    sec-butanol 1041.48
    n-hexane 245.81
    ethylene glycol 258.55
    NMP 179.88
    cyclohexane 204.45
    DMSO 596.35
    n-butyl acetate 1215.58
    n-octanol 347.34
    chloroform 1811.47
    n-propyl acetate 856.84
    acetic acid 622.59
    dichloromethane 1271.34
    cyclohexanone 734.61
    propylene glycol 544.0
    isopropyl acetate 1046.38
    DMAc 641.63
    2-ethoxyethanol 1428.24
    isopentanol 986.31
    n-heptane 171.77
    ethyl formate 684.96
    1,2-dichloroethane 858.81
    n-hexanol 1266.17
    2-methoxyethanol 1847.56
    isobutyl acetate 544.64
    tetrachloromethane 223.21
    n-pentyl acetate 366.63
    transcutol 3979.32
    n-heptanol 377.26
    ethylbenzene 240.57
    MIBK 556.44
    2-propoxyethanol 1890.87
    tert-butanol 1597.31
    MTBE 1804.19
    2-butoxyethanol 708.83
    propionic acid 742.55
    o-xylene 211.25
    formic acid 191.29
    diethyl ether 2425.36
    m-xylene 240.46
    p-xylene 259.05
    chlorobenzene 384.95
    dimethyl carbonate 282.29
    n-octane 51.7
    formamide 323.47
    cyclopentanone 551.7
    2-pentanone 912.25
    anisole 627.12
    cyclopentyl methyl ether 742.32
    gamma-butyrolactone 645.74
    1-methoxy-2-propanol 1374.71
    pyridine 1062.65
    3-pentanone 701.99
    furfural 583.29
    n-dodecane 35.68
    diethylene glycol 998.55
    diisopropyl ether 574.17
    tert-amyl alcohol 1018.48
    acetylacetone 749.98
    n-hexadecane 39.5
    acetophenone 364.18
    methyl propionate 1024.34
    isopentyl acetate 935.12
    trichloroethylene 1235.92
    n-nonanol 310.34
    cyclohexanol 593.22
    benzyl alcohol 402.32
    2-ethylhexanol 638.64
    isooctanol 278.44
    dipropyl ether 1205.78
    1,2-dichlorobenzene 295.54
    ethyl lactate 303.04
    propylene carbonate 454.6
    n-methylformamide 438.88
    2-pentanol 923.05
    n-pentane 170.51
    1-propoxy-2-propanol 1255.61
    1-methoxy-2-propyl acetate 1012.69
    2-(2-methoxypropoxy) propanol 571.37
    mesitylene 156.73
    ε-caprolactone 725.23
    p-cymene 156.62
    epichlorohydrin 1114.79
    1,1,1-trichloroethane 739.05
    2-aminoethanol 695.52
    morpholine-4-carbaldehyde 823.17
    sulfolane 390.1
    2,2,4-trimethylpentane 71.06
    2-methyltetrahydrofuran 1249.6
    n-hexyl acetate 557.83
    isooctane 70.07
    2-(2-butoxyethoxy)ethanol 1009.44
    sec-butyl acetate 618.76
    tert-butyl acetate 869.61
    decalin 102.77
    glycerin 492.65
    diglyme 1692.41
    acrylic acid 431.36
    isopropyl myristate 230.45
    n-butyric acid 1207.78
    acetyl acetate 717.97
    di(2-ethylhexyl) phthalate 177.99
    ethyl propionate 784.68
    nitromethane 809.77
    1,2-diethoxyethane 1720.99
    benzonitrile 400.11
    trioctyl phosphate 122.47
    1-bromopropane 777.9
    gamma-valerolactone 994.99
    n-decanol 226.99
    triethyl phosphate 222.63
    4-methyl-2-pentanol 506.65
    propionitrile 1081.53
    vinylene carbonate 438.54
    1,1,2-trichlorotrifluoroethane 619.19
    DMS 397.47
    cumene 167.44
    2-octanol 217.2
    2-hexanone 683.11
    octyl acetate 263.82
    limonene 248.37
    1,2-dimethoxyethane 2061.78
    ethyl orthosilicate 258.57
    tributyl phosphate 179.22
    diacetone alcohol 698.52
    N,N-dimethylaniline 307.49
    acrylonitrile 794.51
    aniline 508.48
    1,3-propanediol 1008.43
    bromobenzene 369.81
    dibromomethane 909.23
    1,1,2,2-tetrachloroethane 1098.73
    2-methyl-cyclohexyl acetate 400.81
    tetrabutyl urea 196.78
    diisobutyl methanol 323.31
    2-phenylethanol 511.06
    styrene 313.4
    dioctyl adipate 277.51
    dimethyl sulfate 234.46
    ethyl butyrate 807.31
    methyl lactate 335.95
    butyl lactate 285.05
    diethyl carbonate 479.29
    propanediol butyl ether 519.73
    triethyl orthoformate 521.25
    p-tert-butyltoluene 162.33
    methyl 4-tert-butylbenzoate 309.98
    morpholine 2972.76
    tert-butylamine 1079.41
    n-dodecanol 176.23
    dimethoxymethane 987.51
    ethylene carbonate 469.92
    cyrene 277.02
    2-ethoxyethyl acetate 621.14
    2-ethylhexyl acetate 670.69
    1,2,4-trichlorobenzene 315.35
    4-methylpyridine 811.16
    dibutyl ether 692.44
    2,6-dimethyl-4-heptanol 323.31
    DEF 817.75
    dimethyl isosorbide 689.63
    tetrachloroethylene 688.89
    eugenol 311.5
    triacetin 462.36
    span 80 476.34
    1,4-butanediol 385.85
    1,1-dichloroethane 976.86
    2-methyl-1-pentanol 658.11
    methyl formate 284.64
    2-methyl-1-butanol 755.45
    n-decane 68.49
    butyronitrile 1094.6
    3,7-dimethyl-1-octanol 380.59
    1-chlorooctane 225.74
    1-chlorotetradecane 83.43
    n-nonane 69.43
    undecane 46.74
    tert-butylcyclohexane 108.97
    cyclooctane 74.6
    cyclopentanol 408.38
    tetrahydropyran 2193.6
    tert-amyl methyl ether 973.92
    2,5,8-trioxanonane 986.75
    1-hexene 745.87
    2-isopropoxyethanol 981.9
    2,2,2-trifluoroethanol 155.39
    methyl butyrate 854.82

    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