2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)-

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  • Identifiers

    CAS number
    56138-10-4

    Molecular formula
    C11H14O

    SMILES
    CC1=CC=C(C=C1)/C=C(\C)/CO

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 91.2%
    Sweet 76.23%
    Balsamic 51.58%
    Green 48.76%
    Spicy 43.98%
    Rose 43.45%
    Powdery 43.06%
    Fruity 42.6%
    Hyacinth 35.05%
    Honey 32.91%

     

    Flavor
    Sweet 60.77%
    Floral 54.53%
    Spicy 47.8%
    Balsam 34.97%
    Fruity 33.4%
    Woody 31.61%
    Powdery 28.6%
    Herbal 27.87%
    Flower 26.88%
    Cherry 26.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.15 (weak base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    267°C

    Flash point

    • 125.9 ˚C est.

  • Synonyms

    • 56138-10-4
    • 2-PROPEN-1-OL, 2-METHYL-3-(4-METHYLPHENYL)-, (2E)-
    • DTXSID60884702
    • (2E)-2-methyl-3-(4-methylphenyl)-2-propen-1-ol
    • SCHEMBL1758165
    • SCHEMBL1758330
    • DTXCID301024131
    • (E)-2-methyl-3-p-tolylprop-2-en-1-ol
    • DB-200394
    • (E)-2-methyl-3-(p-tolyl)prop-2-en-1-ol
    • E-3-(4-methylphenyl)-2-methyl-2-propen-1-ol
    • 176956-51-7

  • Applications

    2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)- (CAS 56138-10-4) is primarily viewed as a versatile intermediate in the synthesis of fragrance and cosmetic compounds, serving as a precursor for aroma materials and potential fixatives. Its allylic alcohol functionality and aryl substituent also enable use as a building block in polymer and plastic formulations, suitable for derivatization toward polyurethanes or epoxies and for coatings and UV-curable systems. Additionally, it is commonly evaluated as a synthetic intermediate in organic synthesis for pharmaceutical and specialty chemicals, providing a scaffold for further transformations in industrial processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 724.34
    methanol 555.39
    isopropanol 530.9
    water 1.65
    ethyl acetate 876.1
    n-propanol 597.59
    acetone 747.42
    n-butanol 562.52
    acetonitrile 640.46
    DMF 625.29
    toluene 179.25
    isobutanol 358.37
    1,4-dioxane 1111.23
    methyl acetate 695.03
    THF 806.88
    2-butanone 675.22
    n-pentanol 329.52
    sec-butanol 400.1
    n-hexane 52.04
    ethylene glycol 175.25
    NMP 200.27
    cyclohexane 40.14
    DMSO 358.3
    n-butyl acetate 378.15
    n-octanol 135.07
    chloroform 720.3
    n-propyl acetate 334.08
    acetic acid 460.91
    dichloromethane 504.23
    cyclohexanone 400.91
    propylene glycol 259.66
    isopropyl acetate 417.19
    DMAc 488.04
    2-ethoxyethanol 603.3
    isopentanol 442.15
    n-heptane 30.7
    ethyl formate 307.87
    1,2-dichloroethane 489.6
    n-hexanol 427.65
    2-methoxyethanol 864.13
    isobutyl acetate 230.95
    tetrachloromethane 94.05
    n-pentyl acetate 155.05
    transcutol 1492.25
    n-heptanol 161.61
    ethylbenzene 108.16
    MIBK 311.95
    2-propoxyethanol 646.18
    tert-butanol 785.36
    MTBE 774.95
    2-butoxyethanol 320.21
    propionic acid 367.94
    o-xylene 103.56
    formic acid 140.8
    diethyl ether 934.3
    m-xylene 130.05
    p-xylene 115.73
    chlorobenzene 192.03
    dimethyl carbonate 202.32
    n-octane 14.9
    formamide 253.03
    cyclopentanone 433.7
    2-pentanone 557.42
    anisole 307.12
    cyclopentyl methyl ether 346.66
    gamma-butyrolactone 416.54
    1-methoxy-2-propanol 633.2
    pyridine 493.51
    3-pentanone 380.92
    furfural 389.51
    n-dodecane 11.72
    diethylene glycol 470.92
    diisopropyl ether 191.76
    tert-amyl alcohol 504.86
    acetylacetone 458.03
    n-hexadecane 13.02
    acetophenone 199.83
    methyl propionate 493.11
    isopentyl acetate 327.51
    trichloroethylene 789.17
    n-nonanol 120.5
    cyclohexanol 230.12
    benzyl alcohol 216.73
    2-ethylhexanol 211.45
    isooctanol 133.71
    dipropyl ether 302.28
    1,2-dichlorobenzene 157.18
    ethyl lactate 145.16
    propylene carbonate 252.09
    n-methylformamide 330.97
    2-pentanol 369.76
    n-pentane 43.57
    1-propoxy-2-propanol 398.01
    1-methoxy-2-propyl acetate 370.44
    2-(2-methoxypropoxy) propanol 248.24
    mesitylene 79.71
    ε-caprolactone 353.44
    p-cymene 67.2
    epichlorohydrin 670.08
    1,1,1-trichloroethane 402.31
    2-aminoethanol 365.99
    morpholine-4-carbaldehyde 450.96
    sulfolane 294.41
    2,2,4-trimethylpentane 30.75
    2-methyltetrahydrofuran 543.01
    n-hexyl acetate 235.26
    isooctane 30.24
    2-(2-butoxyethoxy)ethanol 400.16
    sec-butyl acetate 246.51
    tert-butyl acetate 396.64
    decalin 28.62
    glycerin 324.89
    diglyme 715.06
    acrylic acid 267.86
    isopropyl myristate 90.57
    n-butyric acid 540.03
    acetyl acetate 346.46
    di(2-ethylhexyl) phthalate 82.55
    ethyl propionate 303.05
    nitromethane 671.38
    1,2-diethoxyethane 503.47
    benzonitrile 192.3
    trioctyl phosphate 62.42
    1-bromopropane 313.53
    gamma-valerolactone 592.22
    n-decanol 92.3
    triethyl phosphate 96.17
    4-methyl-2-pentanol 205.65
    propionitrile 467.54
    vinylene carbonate 242.47
    1,1,2-trichlorotrifluoroethane 443.14
    DMS 178.78
    cumene 81.09
    2-octanol 97.18
    2-hexanone 309.13
    octyl acetate 113.62
    limonene 98.09
    1,2-dimethoxyethane 787.09
    ethyl orthosilicate 107.94
    tributyl phosphate 78.92
    diacetone alcohol 406.58
    N,N-dimethylaniline 161.59
    acrylonitrile 471.95
    aniline 244.51
    1,3-propanediol 488.6
    bromobenzene 179.34
    dibromomethane 356.18
    1,1,2,2-tetrachloroethane 612.13
    2-methyl-cyclohexyl acetate 167.47
    tetrabutyl urea 91.29
    diisobutyl methanol 127.81
    2-phenylethanol 218.26
    styrene 135.24
    dioctyl adipate 114.7
    dimethyl sulfate 185.59
    ethyl butyrate 266.74
    methyl lactate 198.82
    butyl lactate 133.95
    diethyl carbonate 165.62
    propanediol butyl ether 253.07
    triethyl orthoformate 171.0
    p-tert-butyltoluene 71.86
    methyl 4-tert-butylbenzoate 178.83
    morpholine 1094.73
    tert-butylamine 463.8
    n-dodecanol 72.14
    dimethoxymethane 585.7
    ethylene carbonate 216.27
    cyrene 188.24
    2-ethoxyethyl acetate 286.58
    2-ethylhexyl acetate 235.22
    1,2,4-trichlorobenzene 189.07
    4-methylpyridine 391.47
    dibutyl ether 179.87
    2,6-dimethyl-4-heptanol 127.81
    DEF 402.63
    dimethyl isosorbide 317.53
    tetrachloroethylene 374.69
    eugenol 197.51
    triacetin 203.75
    span 80 206.81
    1,4-butanediol 178.82
    1,1-dichloroethane 501.09
    2-methyl-1-pentanol 290.45
    methyl formate 246.79
    2-methyl-1-butanol 376.68
    n-decane 19.6
    butyronitrile 446.51
    3,7-dimethyl-1-octanol 145.77
    1-chlorooctane 85.43
    1-chlorotetradecane 33.14
    n-nonane 19.14
    undecane 14.49
    tert-butylcyclohexane 38.73
    cyclooctane 16.84
    cyclopentanol 194.5
    tetrahydropyran 770.28
    tert-amyl methyl ether 399.43
    2,5,8-trioxanonane 399.91
    1-hexene 225.06
    2-isopropoxyethanol 420.41
    2,2,2-trifluoroethanol 141.98
    methyl butyrate 345.77

    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