2-Phenylisopropanol

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  • Identifiers

    CAS number
    617-94-7

    Molecular formula
    C9H12O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1715.0

  • Odor profile

    Fragrance
    Floral 88.33%
    Sweet 80.3%
    Herbal 75.01%
    Green 71.7%
    Earthy 53.84%
    Fresh 49.92%
    Woody 48.61%
    Fruity 47.78%
    Rose 41.25%
    Camphoreous 36.3%

     

    Flavor
    Floral 77.23%
    Sweet 69.29%
    Fruity 60.37%
    Rose 47.73%
    Bitter 45.59%
    Citrus 42.74%
    Green 41.06%
    Cherry 32.68%
    Flower 31.2%
    Herbal 30.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.95 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 36 °C

    Boiling point

    • 202 °C @ 760 MM HG

    Flash point

    • 80.75 ˚C est.

    Solubility expt.

    • INSOL IN WATER; SOL IN ETHANOL, ETHER, BENZENE

  • Synonyms

    • 2-Phenyl-2-propanol
    • 2-Phenylpropan-2-ol
    • 617-94-7
    • Dimethylphenylcarbinol
    • 1-Hydroxycumene
    • Dimethylphenylmethanol
    • 2-PHENYLISOPROPANOL
    • alpha-Cumyl alcohol
    • Phenyldimethylcarbinol
    • alpha,alpha-Dimethylbenzyl alcohol
    • 2-Propanol, 2-phenyl-
    • 2-phenyl-propan-2-ol
    • 2-phenylpropanol-2
    • alpha,alpha-Dimethylbenzenemethanol
    • NSC 1261
    • Benzyl alcohol, alpha,alpha-dimethyl-
    • Benzenemethanol, alpha,alpha-dimethyl-
    • Dimethyl phenyl carbinol
    • NSC 212537
    • HSDB 5718
    • a,a-dimethylbenzyl alcohol
    • Benzenemethanol, .alpha.,.alpha.-dimethyl-
    • EINECS 210-539-5
    • MFCD00004456
    • .alpha.,.alpha.-Dimethylbenzyl alcohol
    • BRN 1905012
    • JE030BGE05
    • DTXSID3027247
    • .alpha.-Cumyl alcohol
    • AI3-05532
    • NSC-1261
    • 2-Phenylisopropyl alcohol
    • NSC-212537
    • Benzyl alcohol, .alpha.,.alpha.-dimethyl-
    • DTXCID107247
    • alpha,alpha-dimethylbenzyl aldohol
    • CHEBI:131607
    • EC 210-539-5
    • 2-PHENYLISOPROPANOL [HSDB]
    • 4-06-00-03219 (Beilstein Handbook Reference)
    • Benzyl alcohol,.alpha.-dimethyl-
    • Benzenemethanol,.alpha.-dimethyl-
    • UNII-JE030BGE05
    • 1Hydroxycumene
    • 2Phenyl2propanol
    • alphaCumyl alcohol
    • 2Propanol, 2phenyl
    • dimethylphenyl carbinol
    • 1-Methyl-1-phenylethanol
    • 2-Hydroxy-2-phenylpropane
    • SCHEMBL164244
    • 2-Phenyl-2-propanol, 97%
    • alpha,alphaDimethylbenzyl alcohol
    • CHEMBL3185495
    • alpha,alphaDimethylbenzenemethanol
    • MSK1699
    • NSC1261
    • (1-hydroxy-1-methylethyl)benzene
    • Benzyl alcohol, alpha,alphadimethyl
    • Benzenemethanol, alpha,alphadimethyl
    • STR08958
    • Tox21_200449
    • NSC212537
    • AKOS009158102
    • 1ST1699
    • CS-W016526
    • HY-W015810
    • PB47644
    • PS-4036
    • .alpha.,.alpha.-Dimethylbenzenemethanol
    • NCGC00248623-01
    • NCGC00258003-01
    • CAS-617-94-7
    • MSK1699-1000
    • SY021550
    • NS00010783
    • P0213
    • 1ST1699-1000
    • BENZENEMETHANOL, ALPHA, ALPHA, DIMETHYL
    • EN300-120905
    • P15346
    • Q15726116
    • 2-Phenyl-2-propanol Solution in Methanol, 1000?g/mL
    • 2-Phenyl-2-propanol Solution in Methanol, 1000mug/mL
    • 210-539-5

  • Applications

    For 2-Phenylisopropanol (CAS 617-94-7), the compound is primarily employed as an intermediate in organic synthesis and as a fragrance-related odorant component. It is commonly used as a solvent or processing aid in industrial coatings, inks, and cleaning formulations, where its aromatic character can support formulation performance. In cosmetics and personal care, it may serve as a fragrance solvent or aroma compound. It also functions as a building block for the preparation of related aromatic alcohols and esters, enabling synthesis of specialty chemicals for fragrance and materials applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 939.28
    methanol 1061.38
    isopropanol 875.07
    water 5.17
    ethyl acetate 611.77
    n-propanol 864.8
    acetone 857.55
    n-butanol 789.21
    acetonitrile 681.55
    DMF 853.52
    toluene 255.19
    isobutanol 627.55
    1,4-dioxane 1300.38
    methyl acetate 635.03
    THF 1575.8
    2-butanone 686.33
    n-pentanol 553.17
    sec-butanol 751.0
    n-hexane 375.28
    ethylene glycol 245.82
    NMP 625.26
    cyclohexane 198.42
    DMSO 699.43
    n-butyl acetate 391.61
    n-octanol 400.92
    chloroform 1020.0
    n-propyl acetate 319.77
    acetic acid 347.03
    dichloromethane 755.86
    cyclohexanone 715.85
    propylene glycol 351.91
    isopropyl acetate 377.65
    DMAc 660.54
    2-ethoxyethanol 609.23
    isopentanol 579.08
    n-heptane 203.24
    ethyl formate 314.54
    1,2-dichloroethane 477.32
    n-hexanol 964.87
    2-methoxyethanol 841.22
    isobutyl acetate 243.53
    tetrachloromethane 238.03
    n-pentyl acetate 252.15
    transcutol 991.82
    n-heptanol 383.08
    ethylbenzene 169.19
    MIBK 409.18
    2-propoxyethanol 1049.43
    tert-butanol 984.11
    MTBE 818.49
    2-butoxyethanol 478.51
    propionic acid 468.04
    o-xylene 179.6
    formic acid 138.9
    diethyl ether 944.71
    m-xylene 213.64
    p-xylene 190.94
    chlorobenzene 241.58
    dimethyl carbonate 222.22
    n-octane 89.91
    formamide 172.24
    cyclopentanone 855.95
    2-pentanone 614.99
    anisole 352.6
    cyclopentyl methyl ether 763.93
    gamma-butyrolactone 808.62
    1-methoxy-2-propanol 825.75
    pyridine 399.36
    3-pentanone 481.84
    furfural 458.28
    n-dodecane 62.99
    diethylene glycol 609.9
    diisopropyl ether 308.09
    tert-amyl alcohol 705.99
    acetylacetone 460.39
    n-hexadecane 67.78
    acetophenone 247.0
    methyl propionate 510.81
    isopentyl acetate 331.87
    trichloroethylene 631.12
    n-nonanol 322.99
    cyclohexanol 534.61
    benzyl alcohol 229.07
    2-ethylhexanol 442.86
    isooctanol 283.65
    dipropyl ether 592.36
    1,2-dichlorobenzene 211.25
    ethyl lactate 197.16
    propylene carbonate 392.96
    n-methylformamide 415.47
    2-pentanol 631.22
    n-pentane 251.85
    1-propoxy-2-propanol 674.89
    1-methoxy-2-propyl acetate 382.99
    2-(2-methoxypropoxy) propanol 322.88
    mesitylene 148.14
    ε-caprolactone 552.37
    p-cymene 118.94
    epichlorohydrin 744.69
    1,1,1-trichloroethane 539.28
    2-aminoethanol 458.85
    morpholine-4-carbaldehyde 741.14
    sulfolane 737.59
    2,2,4-trimethylpentane 95.36
    2-methyltetrahydrofuran 1008.53
    n-hexyl acetate 440.47
    isooctane 94.0
    2-(2-butoxyethoxy)ethanol 487.54
    sec-butyl acetate 244.63
    tert-butyl acetate 403.99
    decalin 114.46
    glycerin 394.01
    diglyme 766.77
    acrylic acid 312.22
    isopropyl myristate 178.5
    n-butyric acid 549.58
    acetyl acetate 275.68
    di(2-ethylhexyl) phthalate 127.3
    ethyl propionate 314.54
    nitromethane 556.58
    1,2-diethoxyethane 465.23
    benzonitrile 229.16
    trioctyl phosphate 121.63
    1-bromopropane 502.08
    gamma-valerolactone 851.33
    n-decanol 243.79
    triethyl phosphate 130.17
    4-methyl-2-pentanol 337.03
    propionitrile 575.69
    vinylene carbonate 318.01
    1,1,2-trichlorotrifluoroethane 439.8
    DMS 248.5
    cumene 144.9
    2-octanol 266.52
    2-hexanone 446.49
    octyl acetate 224.39
    limonene 205.06
    1,2-dimethoxyethane 872.68
    ethyl orthosilicate 135.12
    tributyl phosphate 134.49
    diacetone alcohol 464.71
    N,N-dimethylaniline 257.36
    acrylonitrile 498.9
    aniline 287.92
    1,3-propanediol 494.3
    bromobenzene 239.98
    dibromomethane 565.24
    1,1,2,2-tetrachloroethane 609.58
    2-methyl-cyclohexyl acetate 227.64
    tetrabutyl urea 169.86
    diisobutyl methanol 223.3
    2-phenylethanol 309.2
    styrene 178.95
    dioctyl adipate 190.45
    dimethyl sulfate 310.48
    ethyl butyrate 272.42
    methyl lactate 288.32
    butyl lactate 192.47
    diethyl carbonate 168.63
    propanediol butyl ether 389.27
    triethyl orthoformate 189.67
    p-tert-butyltoluene 133.6
    methyl 4-tert-butylbenzoate 256.03
    morpholine 1170.19
    tert-butylamine 700.55
    n-dodecanol 190.56
    dimethoxymethane 689.51
    ethylene carbonate 305.29
    cyrene 272.59
    2-ethoxyethyl acetate 294.17
    2-ethylhexyl acetate 264.53
    1,2,4-trichlorobenzene 234.78
    4-methylpyridine 421.16
    dibutyl ether 400.78
    2,6-dimethyl-4-heptanol 223.3
    DEF 556.81
    dimethyl isosorbide 416.62
    tetrachloroethylene 384.53
    eugenol 249.95
    triacetin 265.24
    span 80 308.84
    1,4-butanediol 268.53
    1,1-dichloroethane 644.67
    2-methyl-1-pentanol 409.04
    methyl formate 314.0
    2-methyl-1-butanol 550.1
    n-decane 107.72
    butyronitrile 588.57
    3,7-dimethyl-1-octanol 312.5
    1-chlorooctane 274.12
    1-chlorotetradecane 111.88
    n-nonane 120.29
    undecane 79.53
    tert-butylcyclohexane 130.33
    cyclooctane 92.19
    cyclopentanol 555.63
    tetrahydropyran 1088.22
    tert-amyl methyl ether 549.97
    2,5,8-trioxanonane 498.58
    1-hexene 647.76
    2-isopropoxyethanol 486.99
    2,2,2-trifluoroethanol 145.51
    methyl butyrate 379.82

    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

Botanical

Name CAS Botanical Proportion
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.01%