2-(3-Methylphenyl)propan-2-ol

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  • Identifiers

    CAS number
    5208-37-7

    Molecular formula
    C10H14O

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

    Retention indicies (RI)

    • DB5: 1180.0
    • Carbowax: 1838.0

  • Odor profile

    Floral 84.55%
    Sweet 68.34%
    Herbal 66.25%
    Green 59.11%
    Fruity 51.68%
    Woody 48.8%
    Earthy 45.73%
    Fresh 39.17%
    Nutty 34.17%
    Camphoreous 32.53%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    221°C

    Flash point est.
    90.98 ˚C

  • Synonyms

    • 2-(3-methylphenyl)propan-2-ol
    • 5208-37-7
    • 2-(3-Methylphenyl)-2-propanol
    • m-Cymen-8-ol
    • 2-(m-Tolyl)propan-2-ol
    • 2-(3-Tolyl)-2-propanol
    • m-Cymenol
    • NSC80511
    • 2-m-tolylpropan-2-ol
    • SCHEMBL2538414
    • NARIBLVZTLPQJB-UHFFFAOYSA-N
    • DTXSID601016804
    • FAA20837
    • NSC 80511
    • NSC-80511
    • DB-314181
    • Benzenemethanol, .alpha.,.alpha.,3-trimethyl-
    • EN300-1830390
    • 5069-56-7

  • Applications

    2-(3-Methylphenyl)propan-2-ol is a tertiary benzylic (cumyl-type) alcohol used mainly as a synthetic intermediate and fragrance modifier; it readily forms esters and ethers to deliver longer-lasting odorants or maskers, and dehydrates to 3-methyl-alpha-methylstyrene for specialty resins, tackifiers, and high-Tg copolymers; its halogenated and ester derivatives serve as the cumyl protecting group for phenols/carboxylic acids and as an alkylating handle in pharmaceutical and agrochemical discovery; the scaffold is also leveraged as a precursor to photoinitiators and radical sources, as an analytical reference and mechanistic probe for benzylic solvolysis/carbocations, and as a lipophilic building block for surfactants and polymer additives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 607.19
    methanol 581.69
    isopropanol 684.21
    water 2.43
    ethyl acetate 550.53
    n-propanol 626.7
    acetone 782.57
    n-butanol 617.62
    acetonitrile 451.37
    DMF 877.58
    toluene 225.88
    isobutanol 515.97
    1,4-dioxane 957.8
    methyl acetate 608.4
    THF 1359.24
    2-butanone 716.22
    n-pentanol 430.29
    sec-butanol 606.96
    n-hexane 260.19
    ethylene glycol 176.0
    NMP 487.36
    cyclohexane 140.11
    DMSO 563.81
    n-butyl acetate 415.29
    n-octanol 412.08
    chloroform 854.81
    n-propyl acetate 290.27
    acetic acid 207.16
    dichloromethane 608.16
    cyclohexanone 639.2
    propylene glycol 328.76
    isopropyl acetate 352.54
    DMAc 699.35
    2-ethoxyethanol 469.74
    isopentanol 494.97
    n-heptane 157.21
    ethyl formate 288.86
    1,2-dichloroethane 427.96
    n-hexanol 887.68
    2-methoxyethanol 677.23
    isobutyl acetate 242.69
    tetrachloromethane 177.59
    n-pentyl acetate 256.94
    transcutol 765.78
    n-heptanol 366.34
    ethylbenzene 204.93
    MIBK 402.95
    2-propoxyethanol 984.85
    tert-butanol 863.0
    MTBE 799.06
    2-butoxyethanol 457.91
    propionic acid 319.85
    o-xylene 181.56
    formic acid 77.66
    diethyl ether 731.99
    m-xylene 217.38
    p-xylene 236.57
    chlorobenzene 230.91
    dimethyl carbonate 214.33
    n-octane 84.85
    formamide 105.8
    cyclopentanone 820.88
    2-pentanone 596.19
    anisole 408.51
    cyclopentyl methyl ether 648.73
    gamma-butyrolactone 645.73
    1-methoxy-2-propanol 746.07
    pyridine 345.3
    3-pentanone 473.06
    furfural 415.93
    n-dodecane 68.71
    diethylene glycol 558.16
    diisopropyl ether 261.18
    tert-amyl alcohol 641.66
    acetylacetone 472.81
    n-hexadecane 74.2
    acetophenone 271.27
    methyl propionate 496.16
    isopentyl acetate 378.73
    trichloroethylene 618.8
    n-nonanol 342.55
    cyclohexanol 434.56
    benzyl alcohol 240.17
    2-ethylhexanol 426.8
    isooctanol 280.44
    dipropyl ether 486.16
    1,2-dichlorobenzene 216.45
    ethyl lactate 210.36
    propylene carbonate 346.67
    n-methylformamide 314.26
    2-pentanol 511.35
    n-pentane 162.34
    1-propoxy-2-propanol 664.66
    1-methoxy-2-propyl acetate 433.47
    2-(2-methoxypropoxy) propanol 325.34
    mesitylene 152.94
    ε-caprolactone 495.8
    p-cymene 139.33
    epichlorohydrin 692.74
    1,1,1-trichloroethane 524.21
    2-aminoethanol 325.4
    morpholine-4-carbaldehyde 642.14
    sulfolane 653.84
    2,2,4-trimethylpentane 81.95
    2-methyltetrahydrofuran 879.31
    n-hexyl acetate 469.2
    isooctane 78.67
    2-(2-butoxyethoxy)ethanol 477.28
    sec-butyl acetate 234.0
    tert-butyl acetate 394.03
    decalin 99.88
    glycerin 330.94
    diglyme 710.05
    acrylic acid 217.44
    isopropyl myristate 196.0
    n-butyric acid 411.08
    acetyl acetate 244.48
    di(2-ethylhexyl) phthalate 145.48
    ethyl propionate 309.37
    nitromethane 418.84
    1,2-diethoxyethane 429.63
    benzonitrile 236.15
    trioctyl phosphate 136.48
    1-bromopropane 450.21
    gamma-valerolactone 754.16
    n-decanol 269.92
    triethyl phosphate 140.28
    4-methyl-2-pentanol 327.91
    propionitrile 463.41
    vinylene carbonate 290.22
    1,1,2-trichlorotrifluoroethane 412.84
    DMS 273.87
    cumene 170.0
    2-octanol 270.0
    2-hexanone 422.85
    octyl acetate 262.46
    limonene 214.52
    1,2-dimethoxyethane 784.16
    ethyl orthosilicate 142.23
    tributyl phosphate 149.01
    diacetone alcohol 473.9
    N,N-dimethylaniline 287.19
    acrylonitrile 404.37
    aniline 245.63
    1,3-propanediol 362.37
    bromobenzene 240.99
    dibromomethane 457.58
    1,1,2,2-tetrachloroethane 621.89
    2-methyl-cyclohexyl acetate 245.43
    tetrabutyl urea 191.8
    diisobutyl methanol 223.61
    2-phenylethanol 345.19
    styrene 212.5
    dioctyl adipate 198.69
    dimethyl sulfate 300.28
    ethyl butyrate 265.54
    methyl lactate 284.25
    butyl lactate 205.55
    diethyl carbonate 171.23
    propanediol butyl ether 390.66
    triethyl orthoformate 188.34
    p-tert-butyltoluene 155.71
    methyl 4-tert-butylbenzoate 273.82
    morpholine 877.66
    tert-butylamine 593.43
    n-dodecanol 212.34
    dimethoxymethane 646.51
    ethylene carbonate 265.83
    cyrene 277.09
    2-ethoxyethyl acetate 289.94
    2-ethylhexyl acetate 297.11
    1,2,4-trichlorobenzene 243.87
    4-methylpyridine 395.11
    dibutyl ether 382.64
    2,6-dimethyl-4-heptanol 223.61
    DEF 479.55
    dimethyl isosorbide 447.87
    tetrachloroethylene 354.86
    eugenol 270.86
    triacetin 289.35
    span 80 320.46
    1,4-butanediol 203.12
    1,1-dichloroethane 591.04
    2-methyl-1-pentanol 354.92
    methyl formate 279.15
    2-methyl-1-butanol 473.45
    n-decane 112.11
    butyronitrile 475.12
    3,7-dimethyl-1-octanol 336.33
    1-chlorooctane 297.29
    1-chlorotetradecane 122.48
    n-nonane 120.8
    undecane 85.83
    tert-butylcyclohexane 124.69
    cyclooctane 71.95
    cyclopentanol 472.57
    tetrahydropyran 871.95
    tert-amyl methyl ether 554.08
    2,5,8-trioxanonane 474.19
    1-hexene 520.48
    2-isopropoxyethanol 414.93
    2,2,2-trifluoroethanol 102.9
    methyl butyrate 350.35

    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
Angelica root (Finland) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.18%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.26%
Cymbopogon jwarancusa (Himalaya) Cymbopogon jwarancusa (Jones) Schult., fam. Poaceae (Gramineae) 0.21%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.01%
Angelica root (France) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.23%
Pinus sibirica (Mongolia) 1b Pinus sibirica (Rupr.) Mayr (Siberian pine), fam. Pinaceae 0.1%