Isoamyl phenethyl ether

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  • Identifiers

    CAS number
    56011-02-0

    Molecular formula
    C13H20O

    SMILES
    CC(C)CCOCCC1=CC=CC=C1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 90.91%
    Floral 70.72%
    Hyacinth 51.2%
    Rose 50.26%
    Fruity 50.21%
    Sweet 49.7%
    Leafy 44.39%
    Herbal 43.32%
    Metallic 40.1%
    Fresh 39.52%

     

    Flavor
    Green 83.52%
    Floral 64.95%
    Rose 53.87%
    Earthy 41.98%
    Bitter 41.14%
    Sweet 40.28%
    Hyacinth 39.75%
    Fresh 36.16%
    Honey 33.1%
    Leaf 31.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.91 (neutral)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 109.00 to 110.00 °C. @ 8.00 mm Hg

    Flash point

    • 98.7 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Isopentyl phenethyl ether
    • 56011-02-0
    • green ether
    • Isoamyl phenylethyl ether
    • 2-(3-methylbutoxy)ethylbenzene
    • Isoamyl phenethyl ether
    • Phenylethyl isoamyl ether
    • 2-Phenylethyl isopentyl ether
    • (2-(3-Methylbutoxy)ethyl)benzene
    • phenethyl isoamyl ether
    • Isopentyl phenethylether
    • Benzene, (2-(3-methylbutoxy)ethyl)-
    • EINECS 259-943-3
    • BRN 2250579
    • Isopentylphenethylether
    • [2-(3-METHYLBUTOXY)ETHYL]BENZENE
    • X768037VTG
    • ANTHER (ETHER)
    • Anther
    • 2-phenylethyl isoamyl ether
    • FEMA NO. 4635
    • Benzene, [2-(3-methylbutoxy)ethyl]-
    • UNII-X768037VTG
    • 3-methylbutyl ether
    • SCHEMBL112613
    • 3-methyl butyl oxyethyl benzene
    • DTXSID3052220
    • BHQBQWOZHYUVTL-UHFFFAOYSA-
    • 3-methylbutyl 2-phenylethyl ether
    • (2-(3-methylbutoxy)ethyl) benzene
    • Benzene, 2-(3-methylbutoxy)ethyl-
    • (2-(3-methyl butoxy)ethyl) benzene
    • AKOS006274162
    • Phenyl Ethyl Iso Amyl Ether (ANTHER)
    • [2-(3-Methylbutoxy)ethyl]benzene, 9CI
    • 1-(2-((3-methyl butyl)oxy)ethyl) benzene
    • NS00012662
    • Q27293626
    • InChI=1/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1444.93
    methanol 644.08
    isopropanol 1208.56
    water 0.12
    ethyl acetate 1721.72
    n-propanol 1242.71
    acetone 1256.46
    n-butanol 1206.98
    acetonitrile 1049.27
    DMF 379.52
    toluene 632.13
    isobutanol 861.74
    1,4-dioxane 2793.58
    methyl acetate 1123.26
    THF 2258.97
    2-butanone 1172.53
    n-pentanol 913.77
    sec-butanol 1028.59
    n-hexane 696.96
    ethylene glycol 113.14
    NMP 310.45
    cyclohexane 1052.16
    DMSO 1008.89
    n-butyl acetate 1656.07
    n-octanol 392.75
    chloroform 4209.02
    n-propyl acetate 1060.92
    acetic acid 751.68
    dichloromethane 3555.88
    cyclohexanone 1536.49
    propylene glycol 311.34
    isopropyl acetate 841.33
    DMAc 372.41
    2-ethoxyethanol 916.09
    isopentanol 977.65
    n-heptane 597.61
    ethyl formate 658.09
    1,2-dichloroethane 2330.64
    n-hexanol 1432.59
    2-methoxyethanol 1026.43
    isobutyl acetate 655.3
    tetrachloromethane 568.35
    n-pentyl acetate 543.83
    transcutol 3487.4
    n-heptanol 389.35
    ethylbenzene 399.69
    MIBK 607.61
    2-propoxyethanol 1375.51
    tert-butanol 1257.0
    MTBE 1427.27
    2-butoxyethanol 577.21
    propionic acid 646.55
    o-xylene 381.48
    formic acid 90.58
    diethyl ether 2072.08
    m-xylene 403.35
    p-xylene 469.52
    chlorobenzene 810.0
    dimethyl carbonate 203.92
    n-octane 149.16
    formamide 133.33
    cyclopentanone 996.86
    2-pentanone 1048.72
    anisole 642.08
    cyclopentyl methyl ether 1107.61
    gamma-butyrolactone 995.96
    1-methoxy-2-propanol 904.62
    pyridine 1428.53
    3-pentanone 781.65
    furfural 838.4
    n-dodecane 85.74
    diethylene glycol 669.53
    diisopropyl ether 594.92
    tert-amyl alcohol 886.57
    acetylacetone 864.13
    n-hexadecane 97.24
    acetophenone 490.77
    methyl propionate 804.26
    isopentyl acetate 1203.74
    trichloroethylene 2959.82
    n-nonanol 349.59
    cyclohexanol 1079.66
    benzyl alcohol 442.28
    2-ethylhexanol 865.16
    isooctanol 339.86
    dipropyl ether 1785.04
    1,2-dichlorobenzene 722.84
    ethyl lactate 314.84
    propylene carbonate 754.78
    n-methylformamide 248.96
    2-pentanol 867.46
    n-pentane 458.3
    1-propoxy-2-propanol 1209.11
    1-methoxy-2-propyl acetate 1001.49
    2-(2-methoxypropoxy) propanol 579.81
    mesitylene 287.03
    ε-caprolactone 1275.54
    p-cymene 314.45
    epichlorohydrin 1782.83
    1,1,1-trichloroethane 2022.83
    2-aminoethanol 339.7
    morpholine-4-carbaldehyde 708.23
    sulfolane 907.56
    2,2,4-trimethylpentane 151.44
    2-methyltetrahydrofuran 1791.12
    n-hexyl acetate 693.9
    isooctane 138.48
    2-(2-butoxyethoxy)ethanol 899.64
    sec-butyl acetate 663.79
    tert-butyl acetate 798.08
    decalin 286.78
    glycerin 261.32
    diglyme 1663.73
    acrylic acid 361.12
    isopropyl myristate 332.4
    n-butyric acid 1264.94
    acetyl acetate 775.53
    di(2-ethylhexyl) phthalate 224.61
    ethyl propionate 811.79
    nitromethane 904.83
    1,2-diethoxyethane 1744.43
    benzonitrile 615.87
    trioctyl phosphate 171.68
    1-bromopropane 1828.9
    gamma-valerolactone 1267.95
    n-decanol 275.69
    triethyl phosphate 345.94
    4-methyl-2-pentanol 434.82
    propionitrile 900.74
    vinylene carbonate 639.64
    1,1,2-trichlorotrifluoroethane 955.05
    DMS 495.1
    cumene 269.42
    2-octanol 260.08
    2-hexanone 962.63
    octyl acetate 369.58
    limonene 547.19
    1,2-dimethoxyethane 1720.84
    ethyl orthosilicate 383.05
    tributyl phosphate 252.51
    diacetone alcohol 608.97
    N,N-dimethylaniline 353.51
    acrylonitrile 687.48
    aniline 595.91
    1,3-propanediol 587.8
    bromobenzene 939.52
    dibromomethane 2770.94
    1,1,2,2-tetrachloroethane 2948.28
    2-methyl-cyclohexyl acetate 645.97
    tetrabutyl urea 310.43
    diisobutyl methanol 477.75
    2-phenylethanol 541.95
    styrene 498.27
    dioctyl adipate 428.59
    dimethyl sulfate 229.6
    ethyl butyrate 1135.72
    methyl lactate 268.6
    butyl lactate 371.73
    diethyl carbonate 673.0
    propanediol butyl ether 450.64
    triethyl orthoformate 741.95
    p-tert-butyltoluene 295.94
    methyl 4-tert-butylbenzoate 384.96
    morpholine 2810.04
    tert-butylamine 994.29
    n-dodecanol 231.24
    dimethoxymethane 658.53
    ethylene carbonate 673.17
    cyrene 327.52
    2-ethoxyethyl acetate 698.52
    2-ethylhexyl acetate 958.27
    1,2,4-trichlorobenzene 733.9
    4-methylpyridine 998.97
    dibutyl ether 1048.05
    2,6-dimethyl-4-heptanol 477.75
    DEF 738.59
    dimethyl isosorbide 815.05
    tetrachloroethylene 1615.77
    eugenol 362.09
    triacetin 595.47
    span 80 504.41
    1,4-butanediol 256.56
    1,1-dichloroethane 2324.53
    2-methyl-1-pentanol 733.67
    methyl formate 210.87
    2-methyl-1-butanol 806.63
    n-decane 159.44
    butyronitrile 1161.91
    3,7-dimethyl-1-octanol 462.17
    1-chlorooctane 439.05
    1-chlorotetradecane 177.95
    n-nonane 184.83
    undecane 109.25
    tert-butylcyclohexane 241.26
    cyclooctane 306.35
    cyclopentanol 735.25
    tetrahydropyran 3241.93
    tert-amyl methyl ether 792.65
    2,5,8-trioxanonane 1049.2
    1-hexene 1432.53
    2-isopropoxyethanol 701.42
    2,2,2-trifluoroethanol 162.56
    methyl butyrate 1073.19

    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