1-Methyl-3-phenoxybenzene

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  • Identifiers

    CAS number
    3586-14-9

    Molecular formula
    C13H12O

    SMILES
    CC1=CC(=CC=C1)OC2=CC=CC=C2

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 89.43%
    Rose 68.2%
    Fruity 61.3%
    Geranium 53.42%
    Green 50.61%
    Metallic 44.31%
    Phenolic 39.58%
    Animal 36.81%
    Honey 29.43%
    Leafy 28.74%

     

    Flavor
    Phenolic 61.12%
    Medicinal 39.15%
    Green 37.47%
    Plastic 34.87%
    Geranium 30.56%
    Leather 29.07%
    Woody 27.69%
    Phenol 26.73%
    Fecal 25.58%
    Smoke 25.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.51 (weak base)

    Molecular weight
    184.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point

    • 111.31 ˚C est.

  • Synonyms

    • 3-Phenoxytoluene
    • 1-Methyl-3-phenoxybenzene
    • 3586-14-9
    • m-Phenoxytoluene
    • 3-Methyldiphenyl ether
    • Phenyl m-tolyl ether
    • Ether, phenyl m-tolyl
    • m-Methylphenyl phenyl ether
    • 3-Methylphenyl phenyl ether
    • BENZENE, 1-METHYL-3-PHENOXY-
    • Ether, phenyl m-tolyl-
    • EINECS 222-716-4
    • 2ZZI1Z67WR
    • MFCD00008531
    • BRN 2045714
    • DTXSID8027537
    • PHENOXYTOLUENE, 3-
    • 1-methyl-3-phenoxy-benzene
    • DTXCID407537
    • 4-06-00-02041 (Beilstein Handbook Reference)
    • UNII-2ZZI1Z67WR
    • Meta-phenoxytoluene
    • m-Tolyl Phenyl Ether
    • Permethrin Impurity A
    • Phenyl 3-tolyl ether
    • SCHEMBL441890
    • CHEMBL3188057
    • BCP31633
    • Tox21_200958
    • 3-Phenoxytoluene, >=98.0% (GC)
    • AKOS009031637
    • FP54913
    • NCGC00248887-01
    • NCGC00258511-01
    • AC-10368
    • AS-12310
    • SY049136
    • CAS-3586-14-9
    • CS-0153214
    • NS00022096
    • P0831
    • EN300-19424
    • Q27255873
    • Z104473802
    • 3-Phenoxytoluene;1-Methyl-3-phenoxybenzene;3-Methyldiphenyl ether

  • Applications

    1-Methyl-3-phenoxybenzene (CAS 3586-14-9) is primarily used as an aromatic building block and intermediate in organic synthesis, enabling the construction of more complex aromatic compounds. In fragrance and cosmetics development, it may serve as a precursor or component for fragrance materials owing to its phenoxy-aryl framework. The compound can be employed in polymer and coatings chemistry as a precursor for specialty polymers or as an additive in formulations to modify aromatic character. It also appears in dye and pigment synthesis as a synthetic building block for colorants. In general, it is handled as an intermediate in industrial manufacturing, with use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 691.34
    methanol 416.26
    isopropanol 515.4
    water 0.27
    ethyl acetate 1455.01
    n-propanol 557.31
    acetone 1094.09
    n-butanol 611.2
    acetonitrile 1056.72
    DMF 548.36
    toluene 485.46
    isobutanol 422.89
    1,4-dioxane 2327.38
    methyl acetate 944.29
    THF 2179.6
    2-butanone 973.1
    n-pentanol 465.35
    sec-butanol 552.61
    n-hexane 480.62
    ethylene glycol 80.13
    NMP 430.69
    cyclohexane 536.14
    DMSO 1106.05
    n-butyl acetate 1131.78
    n-octanol 344.29
    chloroform 3010.02
    n-propyl acetate 747.29
    acetic acid 667.02
    dichloromethane 2742.46
    cyclohexanone 1224.33
    propylene glycol 170.7
    isopropyl acetate 639.14
    DMAc 551.72
    2-ethoxyethanol 513.7
    isopentanol 507.68
    n-heptane 286.63
    ethyl formate 589.12
    1,2-dichloroethane 1870.92
    n-hexanol 671.66
    2-methoxyethanol 721.94
    isobutyl acetate 480.72
    tetrachloromethane 250.86
    n-pentyl acetate 397.43
    transcutol 2738.7
    n-heptanol 260.99
    ethylbenzene 369.08
    MIBK 472.64
    2-propoxyethanol 778.57
    tert-butanol 629.32
    MTBE 799.93
    2-butoxyethanol 395.7
    propionic acid 469.92
    o-xylene 241.29
    formic acid 88.87
    diethyl ether 1677.04
    m-xylene 257.29
    p-xylene 405.99
    chlorobenzene 725.73
    dimethyl carbonate 337.82
    n-octane 89.32
    formamide 194.42
    cyclopentanone 1058.95
    2-pentanone 893.53
    anisole 724.53
    cyclopentyl methyl ether 900.17
    gamma-butyrolactone 1129.99
    1-methoxy-2-propanol 611.48
    pyridine 1368.82
    3-pentanone 700.36
    furfural 850.98
    n-dodecane 69.17
    diethylene glycol 398.61
    diisopropyl ether 395.06
    tert-amyl alcohol 529.19
    acetylacetone 859.41
    n-hexadecane 79.01
    acetophenone 510.68
    methyl propionate 747.23
    isopentyl acetate 806.88
    trichloroethylene 2602.48
    n-nonanol 310.47
    cyclohexanol 594.61
    benzyl alcohol 373.2
    2-ethylhexanol 483.84
    isooctanol 228.57
    dipropyl ether 1065.15
    1,2-dichlorobenzene 582.38
    ethyl lactate 253.07
    propylene carbonate 802.51
    n-methylformamide 281.23
    2-pentanol 484.29
    n-pentane 224.71
    1-propoxy-2-propanol 638.73
    1-methoxy-2-propyl acetate 669.12
    2-(2-methoxypropoxy) propanol 497.8
    mesitylene 185.48
    ε-caprolactone 980.5
    p-cymene 200.84
    epichlorohydrin 1583.64
    1,1,1-trichloroethane 1229.28
    2-aminoethanol 214.13
    morpholine-4-carbaldehyde 760.98
    sulfolane 1041.58
    2,2,4-trimethylpentane 80.09
    2-methyltetrahydrofuran 1402.1
    n-hexyl acetate 698.86
    isooctane 71.87
    2-(2-butoxyethoxy)ethanol 746.12
    sec-butyl acetate 487.3
    tert-butyl acetate 571.93
    decalin 182.43
    glycerin 195.02
    diglyme 1398.66
    acrylic acid 343.44
    isopropyl myristate 314.21
    n-butyric acid 822.62
    acetyl acetate 712.58
    di(2-ethylhexyl) phthalate 205.51
    ethyl propionate 672.14
    nitromethane 914.55
    1,2-diethoxyethane 1218.79
    benzonitrile 557.94
    trioctyl phosphate 157.54
    1-bromopropane 1165.59
    gamma-valerolactone 1055.38
    n-decanol 237.79
    triethyl phosphate 273.99
    4-methyl-2-pentanol 269.43
    propionitrile 710.47
    vinylene carbonate 693.39
    1,1,2-trichlorotrifluoroethane 731.14
    DMS 544.01
    cumene 224.83
    2-octanol 201.25
    2-hexanone 733.67
    octyl acetate 373.58
    limonene 317.19
    1,2-dimethoxyethane 1310.71
    ethyl orthosilicate 267.31
    tributyl phosphate 238.4
    diacetone alcohol 492.95
    N,N-dimethylaniline 385.15
    acrylonitrile 677.94
    aniline 477.78
    1,3-propanediol 364.81
    bromobenzene 796.0
    dibromomethane 1923.53
    1,1,2,2-tetrachloroethane 2268.49
    2-methyl-cyclohexyl acetate 446.36
    tetrabutyl urea 278.89
    diisobutyl methanol 266.24
    2-phenylethanol 391.09
    styrene 505.05
    dioctyl adipate 426.77
    dimethyl sulfate 342.12
    ethyl butyrate 774.53
    methyl lactate 246.53
    butyl lactate 282.69
    diethyl carbonate 532.13
    propanediol butyl ether 347.76
    triethyl orthoformate 467.7
    p-tert-butyltoluene 187.43
    methyl 4-tert-butylbenzoate 376.0
    morpholine 1898.63
    tert-butylamine 485.44
    n-dodecanol 198.6
    dimethoxymethane 782.3
    ethylene carbonate 655.56
    cyrene 309.62
    2-ethoxyethyl acetate 541.56
    2-ethylhexyl acetate 636.17
    1,2,4-trichlorobenzene 620.01
    4-methylpyridine 923.66
    dibutyl ether 837.56
    2,6-dimethyl-4-heptanol 266.24
    DEF 763.76
    dimethyl isosorbide 699.62
    tetrachloroethylene 1190.87
    eugenol 351.77
    triacetin 566.0
    span 80 418.42
    1,4-butanediol 150.8
    1,1-dichloroethane 1507.07
    2-methyl-1-pentanol 435.98
    methyl formate 287.21
    2-methyl-1-butanol 468.93
    n-decane 116.08
    butyronitrile 897.3
    3,7-dimethyl-1-octanol 351.95
    1-chlorooctane 370.94
    1-chlorotetradecane 157.23
    n-nonane 129.93
    undecane 85.53
    tert-butylcyclohexane 156.07
    cyclooctane 177.11
    cyclopentanol 448.49
    tetrahydropyran 2349.09
    tert-amyl methyl ether 529.0
    2,5,8-trioxanonane 903.39
    1-hexene 971.8
    2-isopropoxyethanol 399.54
    2,2,2-trifluoroethanol 161.34
    methyl butyrate 842.15

    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