1-Phenyl-2-propanol

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  • Identifiers

    CAS number
    698-87-3

    Molecular formula
    C9H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 90.8%
    Rose 70.23%
    Green 54.21%
    Sweet 47.34%
    Hyacinth 45.99%
    Honey 42.36%
    Fresh 36.8%
    Earthy 35.78%
    Herbal 35.37%
    Balsamic 33.94%

     

    Flavor
    Sweet 81.07%
    Floral 72.67%
    Green 71.08%
    Bitter 53.02%
    Hyacinth 51.59%
    Rose 47.51%
    Honey 44.88%
    Earthy 33.98%
    Fresh 33.95%
    Balsam 33.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.02 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    213°C

    Flash point

    • 99.57 ˚C est.

  • Synonyms

    • 1-Phenyl-2-propanol
    • 1-Phenylpropan-2-ol
    • 698-87-3
    • 14898-87-4
    • Benzyl methyl carbinol
    • 2-Hydroxy-1-phenylpropane
    • Benzeneethanol, alpha-methyl-
    • 2-Propanol, 1-phenyl-
    • Benzylmethylcarbinol
    • Benzeneethanol, .alpha.-methyl-
    • alpha-Methyl-phenethyl alcohol
    • alpha-Methylbenzeneethanol
    • .alpha.-Methylphenethyl alcohol
    • Methylbenzeneethanol
    • NSC 53553
    • Phenethyl alcohol, .alpha.-methyl-
    • .alpha.-Methylbenzeneethanol
    • EINECS 211-821-0
    • UNII-300Y7TB8EY
    • BRN 3195621
    • 300Y7TB8EY
    • 3-Phenyl-2-propanol
    • Phenethyl alcohol, alpha-methyl-
    • AI3-05531
    • MFCD00004540
    • NSC-53553
    • alpha-Methylphenethyl alcohol
    • Benzenethanol, .alpha.-methyl-
    • DTXSID70862379
    • 3-PHENYL-2-HYDROXYPROPANE
    • 4-06-00-03192 (Beilstein Handbook Reference)
    • (+/-)-alpha-Methylphenethyl alcohol
    • (+/-)-1-PHENYLPROPAN-2-OL
    • (+/-)-.ALPHA.-METHYLBENZENEETHANOL
    • (+/-)-.ALPHA.-METHYLPHENETHYL ALCOHOL
    • AMFETAMINE SULFATE IMPURITY A [EP IMPURITY]
    • (+/-)-1-Phenyl-2-propanol
    • 1-phenyl-propan-2-ol
    • AMFETAMINE SULFATE IMPURITY A (EP IMPURITY)
    • benzyl ethanol
    • MFCD00066456
    • 1Phenylpropan2ol
    • 2Propanol, 1phenyl
    • 2Hydroxy1phenylpropane
    • alphaMethylbenzeneethanol
    • Benzeneethanol, alphamethyl
    • alphaMethylphenethyl alcohol
    • SCHEMBL1164
    • Benzenethanol, alpha-methyl-
    • racemic 1-phenylpropan-2-ol
    • Phenethyl alcohol, alphamethyl
    • 1-Phenyl-2-propanol, 98%
    • DTXCID30217104
    • AAA69887
    • NSC53553
    • AKOS008105133
    • SB44895
    • SB45625
    • Benzeneethanol, .alpha.-methyl-, ( )-
    • (+/-)-ALPHA-METHYLBENZENEETHANOL
    • AS-58392
    • SY051093
    • SY110141
    • DB-002383
    • DB-016689
    • DB-064165
    • CS-0154057
    • NS00042421
    • P0215
    • EN300-61929
    • D71014
    • Q27255889
    • Z513749298

  • Applications

    1-Phenyl-2-propanol (CAS 698-87-3) is a benzylic secondary alcohol primarily used as an intermediate in organic synthesis. In the fragrance and flavor industries, it functions as a fragrance ingredient and a precursor to aroma compounds. It is also employed in cosmetics and personal care formulations as a building block for fragrance components and cosmetic ingredients. In pharmaceutical and fine chemical manufacturing, it serves as a chiral building block for the synthesis of intermediates and active pharmaceutical ingredients. Its oxidation to acetophenone provides a versatile route to a common aromatic ketone used in further derivatization for fragrance, flavor, dyes, and polymer-related applications. Additionally, it serves as an intermediate in agrochemical and other specialty chemical syntheses, and can be used to access derivatives for coatings and ink-related materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 978.73
    methanol 898.19
    isopropanol 774.34
    water 2.86
    ethyl acetate 275.54
    n-propanol 688.98
    acetone 620.85
    n-butanol 621.91
    acetonitrile 493.11
    DMF 771.31
    toluene 119.76
    isobutanol 470.52
    1,4-dioxane 803.1
    methyl acetate 286.27
    THF 829.19
    2-butanone 358.33
    n-pentanol 359.89
    sec-butanol 451.75
    n-hexane 107.5
    ethylene glycol 344.55
    NMP 386.71
    cyclohexane 122.72
    DMSO 1120.89
    n-butyl acetate 324.27
    n-octanol 214.26
    chloroform 659.31
    n-propyl acetate 175.41
    acetic acid 487.31
    dichloromethane 563.31
    cyclohexanone 483.56
    propylene glycol 460.19
    isopropyl acetate 141.06
    DMAc 369.49
    2-ethoxyethanol 374.47
    isopentanol 397.66
    n-heptane 164.22
    ethyl formate 217.5
    1,2-dichloroethane 312.52
    n-hexanol 753.48
    2-methoxyethanol 710.04
    isobutyl acetate 121.74
    tetrachloromethane 113.26
    n-pentyl acetate 117.83
    transcutol 771.79
    n-heptanol 216.52
    ethylbenzene 77.93
    MIBK 189.95
    2-propoxyethanol 672.02
    tert-butanol 690.44
    MTBE 315.76
    2-butoxyethanol 272.76
    propionic acid 409.59
    o-xylene 89.9
    formic acid 140.57
    diethyl ether 414.14
    m-xylene 104.11
    p-xylene 85.44
    chlorobenzene 135.29
    dimethyl carbonate 114.06
    n-octane 38.17
    formamide 174.74
    cyclopentanone 534.78
    2-pentanone 343.8
    anisole 175.51
    cyclopentyl methyl ether 372.75
    gamma-butyrolactone 515.85
    1-methoxy-2-propanol 550.67
    pyridine 316.02
    3-pentanone 224.32
    furfural 344.47
    n-dodecane 30.42
    diethylene glycol 534.57
    diisopropyl ether 108.59
    tert-amyl alcohol 364.78
    acetylacetone 265.2
    n-hexadecane 32.99
    acetophenone 136.85
    methyl propionate 248.81
    isopentyl acetate 232.91
    trichloroethylene 450.7
    n-nonanol 172.28
    cyclohexanol 410.59
    benzyl alcohol 153.27
    2-ethylhexanol 318.1
    isooctanol 145.4
    dipropyl ether 446.64
    1,2-dichlorobenzene 122.76
    ethyl lactate 126.74
    propylene carbonate 265.1
    n-methylformamide 359.35
    2-pentanol 363.07
    n-pentane 105.97
    1-propoxy-2-propanol 462.47
    1-methoxy-2-propyl acetate 248.76
    2-(2-methoxypropoxy) propanol 243.31
    mesitylene 69.95
    ε-caprolactone 318.93
    p-cymene 84.07
    epichlorohydrin 443.82
    1,1,1-trichloroethane 262.17
    2-aminoethanol 543.39
    morpholine-4-carbaldehyde 473.89
    sulfolane 614.19
    2,2,4-trimethylpentane 35.79
    2-methyltetrahydrofuran 527.31
    n-hexyl acetate 200.24
    isooctane 38.19
    2-(2-butoxyethoxy)ethanol 331.1
    sec-butyl acetate 95.41
    tert-butyl acetate 160.63
    decalin 46.65
    glycerin 420.24
    diglyme 525.59
    acrylic acid 311.28
    isopropyl myristate 97.43
    n-butyric acid 479.81
    acetyl acetate 147.46
    di(2-ethylhexyl) phthalate 98.0
    ethyl propionate 149.08
    nitromethane 524.2
    1,2-diethoxyethane 286.74
    benzonitrile 166.46
    trioctyl phosphate 84.13
    1-bromopropane 275.4
    gamma-valerolactone 537.45
    n-decanol 137.71
    triethyl phosphate 90.25
    4-methyl-2-pentanol 175.15
    propionitrile 363.81
    vinylene carbonate 230.3
    1,1,2-trichlorotrifluoroethane 347.11
    DMS 136.25
    cumene 65.82
    2-octanol 127.3
    2-hexanone 225.74
    octyl acetate 123.55
    limonene 156.95
    1,2-dimethoxyethane 544.6
    ethyl orthosilicate 91.36
    tributyl phosphate 92.06
    diacetone alcohol 251.29
    N,N-dimethylaniline 134.72
    acrylonitrile 353.38
    aniline 175.65
    1,3-propanediol 509.2
    bromobenzene 127.1
    dibromomethane 410.16
    1,1,2,2-tetrachloroethane 400.45
    2-methyl-cyclohexyl acetate 150.74
    tetrabutyl urea 130.01
    diisobutyl methanol 156.42
    2-phenylethanol 193.14
    styrene 94.46
    dioctyl adipate 131.45
    dimethyl sulfate 171.83
    ethyl butyrate 202.96
    methyl lactate 171.08
    butyl lactate 128.9
    diethyl carbonate 119.56
    propanediol butyl ether 285.14
    triethyl orthoformate 138.23
    p-tert-butyltoluene 84.69
    methyl 4-tert-butylbenzoate 165.02
    morpholine 839.75
    tert-butylamine 438.98
    n-dodecanol 113.64
    dimethoxymethane 446.39
    ethylene carbonate 206.46
    cyrene 188.7
    2-ethoxyethyl acetate 151.68
    2-ethylhexyl acetate 174.9
    1,2,4-trichlorobenzene 136.23
    4-methylpyridine 258.9
    dibutyl ether 206.24
    2,6-dimethyl-4-heptanol 156.42
    DEF 304.64
    dimethyl isosorbide 322.37
    tetrachloroethylene 255.95
    eugenol 168.22
    triacetin 176.28
    span 80 250.3
    1,4-butanediol 240.55
    1,1-dichloroethane 347.07
    2-methyl-1-pentanol 223.83
    methyl formate 265.63
    2-methyl-1-butanol 354.91
    n-decane 48.52
    butyronitrile 393.74
    3,7-dimethyl-1-octanol 178.05
    1-chlorooctane 126.03
    1-chlorotetradecane 59.21
    n-nonane 52.61
    undecane 37.06
    tert-butylcyclohexane 50.36
    cyclooctane 46.87
    cyclopentanol 426.61
    tetrahydropyran 692.97
    tert-amyl methyl ether 202.59
    2,5,8-trioxanonane 402.61
    1-hexene 245.83
    2-isopropoxyethanol 242.78
    2,2,2-trifluoroethanol 118.55
    methyl butyrate 202.92

    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