Methyl phenethyl ether

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  • Identifiers

    CAS number
    3558-60-9

    Molecular formula
    C9H12O

    SMILES
    COCCC1=CC=CC=C1

    Retention indicies (RI)

    • DB5: 1080.0

  • Odor profile

    Green 85.39%
    Floral 83.33%
    Rose 75.19%
    Hyacinth 61.84%
    Metallic 46.48%
    Leafy 43.98%
    Fresh 43.2%
    Earthy 43.05%
    Geranium 40.43%
    Honey 39.27%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 185.00 to 187.00 °C. @ 760.00 mm Hg

    Flash point est.
    65.02 ˚C

    Solubility expt.

    • very slightly
    • Insoluble in water; soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • (2-Methoxyethyl)benzene
    • 3558-60-9
    • Methyl phenethyl ether
    • 2-Phenylethyl methyl ether
    • 2-methoxyethylbenzene
    • Benzene, (2-methoxyethyl)-
    • Phenylethyl methyl ether
    • Kewda ether
    • Methyl phenylethyl ether
    • Methyl phenethyl oxide
    • ETHER, METHYL PHENETHYL
    • Kedwa ether
    • Methyl 2-phenethyl ether
    • 1-Methoxy-2-phenylethane
    • Phenethyl methyl ether
    • 2-Phenethyl methyl ether
    • FEMA No. 3198
    • chrysanthemum oxide
    • NSC 81229
    • EINECS 222-619-7
    • BRN 1857538
    • 40356-59-0
    • MFCD00025912
    • NSC-81229
    • 79089Z2R3S
    • .beta.-Phenylethyl methyl ether
    • DTXSID1052032
    • EC 222-619-7
    • 4-06-00-03069 (Beilstein Handbook Reference)
    • METHYL PHENETHYL ETHER [FHFI]
    • UNII-79089Z2R3S
    • methylphenethylether
    • 2-methoxy-ethyl-benzene
    • phenyl ethyl methyl ether
    • Methyl phenyl ethyl ether
    • (2-methoxyethyl)-Benzene
    • SCHEMBL58391
    • beta-Phenylethyl methyl ether
    • (2-Methoxyethyl)benzene, 9CI
    • SCHEMBL5733114
    • CHEMBL4528537
    • DTXCID9030599
    • FEMA 3198
    • CHEBI:196450
    • DAA55860
    • NSC81229
    • AKOS000121418
    • BS-22478
    • SY053300
    • CS-0206194
    • NS00005116
    • P1263
    • EN300-21206
    • Q27266701
    • Z104494216
    • 222-619-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1976.41
    methanol 1112.26
    isopropanol 1351.06
    water 3.04
    ethyl acetate 1498.25
    n-propanol 1587.15
    acetone 1053.8
    n-butanol 1216.28
    acetonitrile 1567.62
    DMF 995.46
    toluene 485.79
    isobutanol 945.26
    1,4-dioxane 2926.41
    methyl acetate 1352.11
    THF 1347.34
    2-butanone 970.09
    n-pentanol 638.34
    sec-butanol 1092.74
    n-hexane 134.1
    ethylene glycol 614.08
    NMP 471.03
    cyclohexane 371.58
    DMSO 1452.55
    n-butyl acetate 571.95
    n-octanol 193.65
    chloroform 4166.48
    n-propyl acetate 520.04
    acetic acid 1601.09
    dichloromethane 3248.11
    cyclohexanone 1041.1
    propylene glycol 876.52
    isopropyl acetate 448.96
    DMAc 625.44
    2-ethoxyethanol 959.26
    isopentanol 687.03
    n-heptane 166.85
    ethyl formate 822.27
    1,2-dichloroethane 1931.23
    n-hexanol 825.32
    2-methoxyethanol 1721.57
    isobutyl acetate 273.22
    tetrachloromethane 613.56
    n-pentyl acetate 204.13
    transcutol 2054.43
    n-heptanol 227.7
    ethylbenzene 200.43
    MIBK 283.57
    2-propoxyethanol 1043.68
    tert-butanol 1218.85
    MTBE 740.54
    2-butoxyethanol 420.28
    propionic acid 1256.68
    o-xylene 272.02
    formic acid 407.77
    diethyl ether 1289.85
    m-xylene 250.8
    p-xylene 231.98
    chlorobenzene 617.22
    dimethyl carbonate 288.63
    n-octane 41.27
    formamide 543.73
    cyclopentanone 856.8
    2-pentanone 633.4
    anisole 442.69
    cyclopentyl methyl ether 669.35
    gamma-butyrolactone 1132.67
    1-methoxy-2-propanol 1018.2
    pyridine 1724.01
    3-pentanone 576.75
    furfural 1050.84
    n-dodecane 29.58
    diethylene glycol 913.13
    diisopropyl ether 210.85
    tert-amyl alcohol 793.91
    acetylacetone 566.63
    n-hexadecane 33.15
    acetophenone 315.32
    methyl propionate 892.19
    isopentyl acetate 391.55
    trichloroethylene 2929.99
    n-nonanol 170.4
    cyclohexanol 923.56
    benzyl alcohol 414.71
    2-ethylhexanol 372.26
    isooctanol 171.62
    dipropyl ether 598.47
    1,2-dichlorobenzene 467.54
    ethyl lactate 255.6
    propylene carbonate 658.18
    n-methylformamide 751.45
    2-pentanol 666.76
    n-pentane 182.19
    1-propoxy-2-propanol 656.77
    1-methoxy-2-propyl acetate 487.78
    2-(2-methoxypropoxy) propanol 318.67
    mesitylene 144.87
    ε-caprolactone 917.33
    p-cymene 132.5
    epichlorohydrin 1547.32
    1,1,1-trichloroethane 1664.21
    2-aminoethanol 1084.24
    morpholine-4-carbaldehyde 989.53
    sulfolane 848.65
    2,2,4-trimethylpentane 59.34
    2-methyltetrahydrofuran 1197.81
    n-hexyl acetate 274.5
    isooctane 46.94
    2-(2-butoxyethoxy)ethanol 494.62
    sec-butyl acetate 272.62
    tert-butyl acetate 361.38
    decalin 91.72
    glycerin 804.95
    diglyme 1007.36
    acrylic acid 962.52
    isopropyl myristate 121.96
    n-butyric acid 1425.2
    acetyl acetate 625.41
    di(2-ethylhexyl) phthalate 111.25
    ethyl propionate 466.88
    nitromethane 1731.78
    1,2-diethoxyethane 674.44
    benzonitrile 486.73
    trioctyl phosphate 81.37
    1-bromopropane 1139.16
    gamma-valerolactone 1230.7
    n-decanol 129.65
    triethyl phosphate 172.24
    4-methyl-2-pentanol 243.84
    propionitrile 1183.47
    vinylene carbonate 724.53
    1,1,2-trichlorotrifluoroethane 1212.39
    DMS 294.0
    cumene 126.78
    2-octanol 124.34
    2-hexanone 387.31
    octyl acetate 152.61
    limonene 229.56
    1,2-dimethoxyethane 1167.68
    ethyl orthosilicate 179.37
    tributyl phosphate 103.49
    diacetone alcohol 411.35
    N,N-dimethylaniline 243.1
    acrylonitrile 1214.43
    aniline 744.57
    1,3-propanediol 1179.88
    bromobenzene 655.65
    dibromomethane 2123.99
    1,1,2,2-tetrachloroethane 2361.48
    2-methyl-cyclohexyl acetate 245.85
    tetrabutyl urea 134.84
    diisobutyl methanol 192.21
    2-phenylethanol 367.13
    styrene 308.71
    dioctyl adipate 180.23
    dimethyl sulfate 344.83
    ethyl butyrate 471.15
    methyl lactate 367.53
    butyl lactate 186.75
    diethyl carbonate 329.0
    propanediol butyl ether 333.44
    triethyl orthoformate 298.67
    p-tert-butyltoluene 125.36
    methyl 4-tert-butylbenzoate 239.87
    morpholine 3080.42
    tert-butylamine 836.09
    n-dodecanol 106.2
    dimethoxymethane 732.66
    ethylene carbonate 649.5
    cyrene 251.59
    2-ethoxyethyl acetate 348.51
    2-ethylhexyl acetate 300.59
    1,2,4-trichlorobenzene 553.59
    4-methylpyridine 994.93
    dibutyl ether 310.59
    2,6-dimethyl-4-heptanol 192.21
    DEF 791.69
    dimethyl isosorbide 416.82
    tetrachloroethylene 1544.03
    eugenol 247.28
    triacetin 318.61
    span 80 296.94
    1,4-butanediol 415.02
    1,1-dichloroethane 1900.83
    2-methyl-1-pentanol 412.77
    methyl formate 548.89
    2-methyl-1-butanol 720.78
    n-decane 48.85
    butyronitrile 986.82
    3,7-dimethyl-1-octanol 190.41
    1-chlorooctane 159.97
    1-chlorotetradecane 64.05
    n-nonane 51.52
    undecane 36.31
    tert-butylcyclohexane 72.41
    cyclooctane 98.09
    cyclopentanol 731.01
    tetrahydropyran 2254.85
    tert-amyl methyl ether 446.97
    2,5,8-trioxanonane 618.34
    1-hexene 434.18
    2-isopropoxyethanol 575.9
    2,2,2-trifluoroethanol 414.53
    methyl butyrate 608.75

    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
Keora (India) 3 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 75.0%
Keora (India) 4 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 67.15%
Keora (India) 2 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 70.5%
Keora (India) 1 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 74.67%
Kewda (India) Pandanus fascicularis Lam., var. fascilarris, fam. Pandanaceae 68.0%
Ketaki (India) Pandanus fascicularis Lam., var. Ketaki, fam. Pandanaceae 66.2%