Phenylisohexanol

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  • Identifiers

    CAS number
    55066-48-3

    Molecular formula
    C12H18O

    SMILES
    CC(CCC1=CC=CC=C1)CCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 91.17%
    Green 75.83%
    Rose 73.53%
    Fresh 58.7%
    Sweet 52.39%
    Lily 49.73%
    Muguet 47.65%
    Herbal 44.1%
    Waxy 43.0%
    Hyacinth 42.69%

     

    Flavor
    Green 77.42%
    Floral 59.82%
    Waxy 51.44%
    Sweet 50.9%
    Fresh 48.62%
    Rose 47.55%
    Bitter 33.33%
    Earthy 32.91%
    Hyacinth 32.59%
    Balsam 32.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.06 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    272°C

    Flash point

    • 128.84 ˚C est.

  • Synonyms

    • 3-methyl-5-phenylpentan-1-ol
    • 55066-48-3
    • phenoxanol
    • 3-Methyl-5-phenylpentanol
    • Phenylisohexanol
    • 1-Pentanol, 3-methyl-5-phenyl
    • Mefrosol
    • 3-Methyl-5-phenyl-1-pentanol
    • phenylhexanol
    • DTXSID4044822
    • Benzenepentanol, .gamma.-methyl-
    • gamma-Methylbenzenepentanol
    • Benzenepentanol, 2-methyl-
    • Benzenepentanol, gamma-methyl-
    • EINECS 259-461-3
    • 5-phenyl-3-methylpentanol
    • 3-Methyl-5-phenyl-n-pentanol
    • DTXCID2024822
    • M56178H183
    • EC 259-461-3
    • PHENYLISOHEXANOL, (+/-)-
    • UNII-M56178H183
    • 3-Methyl-5-phenyl-pentanol
    • SCHEMBL112994
    • PHENYLISOHEXANOL [INCI]
    • CHEMBL3185293
    • Tox21_301260
    • MFCD00072180
    • STL371287
    • AKOS006228049
    • NCGC00256092-01
    • CAS-55066-48-3
    • NS00007759
    • F87994
    • Q15638338
    • 259-461-3
    • Rose Absolute Pentalol

  • Applications

    Phenylisohexanol (CAS 55066-48-3) is used primarily as an odorant and fragrance intermediate in perfumery and personal care formulations; it is often evaluated as a solvent or carrier and as a building block for aroma compounds. In cosmetics and household products, it may serve as a fragrance ingredient contributing notes in formulations for detergents, cleaners, and personal care items. It can also be encountered as an intermediate in industrial manufacturing for the synthesis of other aromatic compounds, and in coatings and inks as a processing solvent or fragrance carrier. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10168.55
    methanol 7799.73
    isopropanol 7245.39
    water 0.4
    ethyl acetate 9001.21
    n-propanol 7974.08
    acetone 8719.48
    n-butanol 5938.83
    acetonitrile 7327.52
    DMF 2630.5
    toluene 981.75
    isobutanol 4455.19
    1,4-dioxane 8505.54
    methyl acetate 5038.12
    THF 6373.92
    2-butanone 5655.52
    n-pentanol 3266.77
    sec-butanol 4117.65
    n-hexane 352.17
    ethylene glycol 763.4
    NMP 736.53
    cyclohexane 464.19
    DMSO 5571.67
    n-butyl acetate 3073.96
    n-octanol 434.15
    chloroform 4017.7
    n-propyl acetate 3205.0
    acetic acid 3114.84
    dichloromethane 3556.89
    cyclohexanone 3698.13
    propylene glycol 1485.51
    isopropyl acetate 3245.83
    DMAc 1345.8
    2-ethoxyethanol 4145.12
    isopentanol 3896.72
    n-heptane 183.61
    ethyl formate 2563.92
    1,2-dichloroethane 3935.89
    n-hexanol 3110.03
    2-methoxyethanol 7277.75
    isobutyl acetate 1335.75
    tetrachloromethane 507.77
    n-pentyl acetate 710.88
    transcutol 7739.89
    n-heptanol 637.49
    ethylbenzene 383.26
    MIBK 1879.39
    2-propoxyethanol 4553.63
    tert-butanol 6301.87
    MTBE 5573.55
    2-butoxyethanol 1284.78
    propionic acid 3204.53
    o-xylene 371.24
    formic acid 613.72
    diethyl ether 8212.37
    m-xylene 509.91
    p-xylene 389.01
    chlorobenzene 972.44
    dimethyl carbonate 640.04
    n-octane 47.74
    formamide 1385.96
    cyclopentanone 3052.64
    2-pentanone 4791.68
    anisole 1073.89
    cyclopentyl methyl ether 2673.2
    gamma-butyrolactone 3063.59
    1-methoxy-2-propanol 4612.32
    pyridine 3607.17
    3-pentanone 2645.71
    furfural 1714.53
    n-dodecane 27.33
    diethylene glycol 2165.13
    diisopropyl ether 1349.72
    tert-amyl alcohol 3069.33
    acetylacetone 2845.21
    n-hexadecane 31.68
    acetophenone 680.73
    methyl propionate 3678.29
    isopentyl acetate 1906.93
    trichloroethylene 4475.9
    n-nonanol 361.25
    cyclohexanol 2235.16
    benzyl alcohol 851.17
    2-ethylhexanol 1103.37
    isooctanol 461.9
    dipropyl ether 2727.78
    1,2-dichlorobenzene 605.86
    ethyl lactate 569.92
    propylene carbonate 1420.43
    n-methylformamide 2761.08
    2-pentanol 3490.1
    n-pentane 296.63
    1-propoxy-2-propanol 2847.56
    1-methoxy-2-propyl acetate 2064.09
    2-(2-methoxypropoxy) propanol 662.86
    mesitylene 292.26
    ε-caprolactone 2644.06
    p-cymene 194.85
    epichlorohydrin 4480.19
    1,1,1-trichloroethane 2400.18
    2-aminoethanol 2579.8
    morpholine-4-carbaldehyde 2012.93
    sulfolane 1925.36
    2,2,4-trimethylpentane 100.04
    2-methyltetrahydrofuran 4423.33
    n-hexyl acetate 853.02
    isooctane 113.03
    2-(2-butoxyethoxy)ethanol 1369.5
    sec-butyl acetate 1493.8
    tert-butyl acetate 2170.35
    decalin 124.13
    glycerin 1178.05
    diglyme 3079.09
    acrylic acid 1528.9
    isopropyl myristate 259.21
    n-butyric acid 5529.65
    acetyl acetate 1807.6
    di(2-ethylhexyl) phthalate 187.73
    ethyl propionate 2084.89
    nitromethane 5495.54
    1,2-diethoxyethane 3574.72
    benzonitrile 936.9
    trioctyl phosphate 156.64
    1-bromopropane 2223.92
    gamma-valerolactone 4172.22
    n-decanol 255.42
    triethyl phosphate 316.27
    4-methyl-2-pentanol 1242.65
    propionitrile 4527.59
    vinylene carbonate 1139.11
    1,1,2-trichlorotrifluoroethane 2010.14
    DMS 566.87
    cumene 211.84
    2-octanol 311.86
    2-hexanone 2691.04
    octyl acetate 308.99
    limonene 388.07
    1,2-dimethoxyethane 6162.76
    ethyl orthosilicate 360.35
    tributyl phosphate 221.65
    diacetone alcohol 1875.97
    N,N-dimethylaniline 397.53
    acrylonitrile 3455.77
    aniline 1454.94
    1,3-propanediol 4081.65
    bromobenzene 891.78
    dibromomethane 2446.55
    1,1,2,2-tetrachloroethane 3659.75
    2-methyl-cyclohexyl acetate 639.74
    tetrabutyl urea 242.41
    diisobutyl methanol 548.47
    2-phenylethanol 902.03
    styrene 553.5
    dioctyl adipate 339.81
    dimethyl sulfate 568.16
    ethyl butyrate 1938.39
    methyl lactate 799.45
    butyl lactate 495.99
    diethyl carbonate 866.7
    propanediol butyl ether 767.69
    triethyl orthoformate 880.35
    p-tert-butyltoluene 196.36
    methyl 4-tert-butylbenzoate 357.21
    morpholine 10069.62
    tert-butylamine 3802.26
    n-dodecanol 189.58
    dimethoxymethane 3955.42
    ethylene carbonate 1300.17
    cyrene 400.16
    2-ethoxyethyl acetate 1140.09
    2-ethylhexyl acetate 1172.4
    1,2,4-trichlorobenzene 651.01
    4-methylpyridine 2531.76
    dibutyl ether 1151.87
    2,6-dimethyl-4-heptanol 548.47
    DEF 3100.91
    dimethyl isosorbide 913.84
    tetrachloroethylene 2267.93
    eugenol 384.71
    triacetin 580.66
    span 80 575.18
    1,4-butanediol 1092.49
    1,1-dichloroethane 3955.73
    2-methyl-1-pentanol 1785.21
    methyl formate 1527.47
    2-methyl-1-butanol 2970.56
    n-decane 57.06
    butyronitrile 4709.73
    3,7-dimethyl-1-octanol 492.84
    1-chlorooctane 274.5
    1-chlorotetradecane 82.66
    n-nonane 61.75
    undecane 37.4
    tert-butylcyclohexane 127.02
    cyclooctane 118.16
    cyclopentanol 2004.52
    tetrahydropyran 8312.71
    tert-amyl methyl ether 2112.59
    2,5,8-trioxanonane 1283.35
    1-hexene 1794.85
    2-isopropoxyethanol 2196.29
    2,2,2-trifluoroethanol 489.1
    methyl butyrate 2967.55

    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