Isobutyl phenyl ether

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  • Identifiers

    CAS number
    1126-75-6

    Molecular formula
    C10H14O

    SMILES
    CC(C)COC1=CC=CC=C1

  • Odor profile

    Sweet 69.16%
    Floral 67.21%
    Fruity 51.48%
    Green 51.08%
    Anisic 44.12%
    Rose 43.88%
    Spicy 36.44%
    Earthy 34.62%
    Aromatic 31.44%
    Herbal 31.25%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point est.
    58.46 ˚C

  • Synonyms

    • Isobutyl phenyl ether
    • 1126-75-6
    • 2-methylpropoxybenzene
    • Isobutoxybenzene
    • Benzene, (2-methylpropoxy)-
    • Ether, isobutyl phenyl
    • Benzene,(2-methylpropoxy)-
    • isobutoxy-benzene
    • (2-methylpropoxy)benzene
    • NSC 78718
    • NSC-78718
    • Isobutoxybenzene #
    • Iso-Butyloxybenzene
    • benzene, isobutoxy-
    • SCHEMBL97377
    • DTXSID30291848
    • X69B3E2X36
    • NSC78718
    • AKOS008948061
    • DS-009937

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1415.6
    methanol 717.52
    isopropanol 1196.23
    water 0.57
    ethyl acetate 1784.5
    n-propanol 1109.02
    acetone 1714.52
    n-butanol 1384.89
    acetonitrile 1472.06
    DMF 860.55
    toluene 783.01
    isobutanol 979.98
    1,4-dioxane 2212.01
    methyl acetate 1444.45
    THF 2416.27
    2-butanone 1621.2
    n-pentanol 1194.21
    sec-butanol 1231.76
    n-hexane 1100.26
    ethylene glycol 183.37
    NMP 695.16
    cyclohexane 944.15
    DMSO 1133.43
    n-butyl acetate 2834.6
    n-octanol 939.32
    chloroform 5786.39
    n-propyl acetate 1463.58
    acetic acid 1311.93
    dichloromethane 4850.2
    cyclohexanone 1831.06
    propylene glycol 361.66
    isopropyl acetate 1012.24
    DMAc 856.26
    2-ethoxyethanol 1069.23
    isopentanol 1326.67
    n-heptane 938.11
    ethyl formate 1085.07
    1,2-dichloroethane 2534.02
    n-hexanol 2069.58
    2-methoxyethanol 1205.11
    isobutyl acetate 944.29
    tetrachloromethane 926.26
    n-pentyl acetate 1033.97
    transcutol 3438.99
    n-heptanol 819.17
    ethylbenzene 684.71
    MIBK 810.23
    2-propoxyethanol 1648.23
    tert-butanol 1576.9
    MTBE 1636.5
    2-butoxyethanol 1034.52
    propionic acid 963.35
    o-xylene 508.83
    formic acid 172.45
    diethyl ether 1802.64
    m-xylene 528.97
    p-xylene 893.18
    chlorobenzene 1173.27
    dimethyl carbonate 350.07
    n-octane 303.36
    formamide 266.22
    cyclopentanone 1616.34
    2-pentanone 1355.97
    anisole 1073.26
    cyclopentyl methyl ether 1205.97
    gamma-butyrolactone 1545.07
    1-methoxy-2-propanol 1025.44
    pyridine 1723.85
    3-pentanone 962.29
    furfural 1490.4
    n-dodecane 214.76
    diethylene glycol 797.74
    diisopropyl ether 644.07
    tert-amyl alcohol 1353.33
    acetylacetone 1143.19
    n-hexadecane 231.45
    acetophenone 887.78
    methyl propionate 914.4
    isopentyl acetate 2171.24
    trichloroethylene 4506.39
    n-nonanol 777.9
    cyclohexanol 1182.89
    benzyl alcohol 740.65
    2-ethylhexanol 1552.41
    isooctanol 666.48
    dipropyl ether 2012.94
    1,2-dichlorobenzene 1099.38
    ethyl lactate 509.59
    propylene carbonate 1345.83
    n-methylformamide 481.5
    2-pentanol 1112.48
    n-pentane 616.1
    1-propoxy-2-propanol 1547.21
    1-methoxy-2-propyl acetate 1255.15
    2-(2-methoxypropoxy) propanol 928.56
    mesitylene 392.91
    ε-caprolactone 1570.1
    p-cymene 594.57
    epichlorohydrin 2236.98
    1,1,1-trichloroethane 2768.48
    2-aminoethanol 410.19
    morpholine-4-carbaldehyde 1099.9
    sulfolane 1432.13
    2,2,4-trimethylpentane 254.33
    2-methyltetrahydrofuran 2110.41
    n-hexyl acetate 1538.75
    isooctane 241.86
    2-(2-butoxyethoxy)ethanol 1238.94
    sec-butyl acetate 964.3
    tert-butyl acetate 964.41
    decalin 407.46
    glycerin 365.54
    diglyme 2178.81
    acrylic acid 740.17
    isopropyl myristate 676.42
    n-butyric acid 1664.35
    acetyl acetate 947.79
    di(2-ethylhexyl) phthalate 459.57
    ethyl propionate 1055.46
    nitromethane 1477.18
    1,2-diethoxyethane 1868.53
    benzonitrile 1237.05
    trioctyl phosphate 392.77
    1-bromopropane 2094.77
    gamma-valerolactone 1598.93
    n-decanol 596.76
    triethyl phosphate 556.03
    4-methyl-2-pentanol 660.89
    propionitrile 1250.22
    vinylene carbonate 1104.17
    1,1,2-trichlorotrifluoroethane 1430.61
    DMS 789.34
    cumene 498.7
    2-octanol 601.02
    2-hexanone 1530.76
    octyl acetate 790.55
    limonene 880.55
    1,2-dimethoxyethane 2059.66
    ethyl orthosilicate 568.56
    tributyl phosphate 545.1
    diacetone alcohol 888.39
    N,N-dimethylaniline 691.5
    acrylonitrile 1149.82
    aniline 731.3
    1,3-propanediol 692.55
    bromobenzene 1381.32
    dibromomethane 3785.67
    1,1,2,2-tetrachloroethane 3659.86
    2-methyl-cyclohexyl acetate 1059.13
    tetrabutyl urea 593.29
    diisobutyl methanol 747.77
    2-phenylethanol 887.86
    styrene 881.99
    dioctyl adipate 871.38
    dimethyl sulfate 409.16
    ethyl butyrate 1688.56
    methyl lactate 375.62
    butyl lactate 680.41
    diethyl carbonate 1096.48
    propanediol butyl ether 862.43
    triethyl orthoformate 1042.4
    p-tert-butyltoluene 573.18
    methyl 4-tert-butylbenzoate 745.3
    morpholine 2087.17
    tert-butylamine 1298.75
    n-dodecanol 496.79
    dimethoxymethane 806.75
    ethylene carbonate 977.96
    cyrene 560.41
    2-ethoxyethyl acetate 1056.42
    2-ethylhexyl acetate 1754.79
    1,2,4-trichlorobenzene 1193.88
    4-methylpyridine 1588.19
    dibutyl ether 1591.25
    2,6-dimethyl-4-heptanol 747.77
    DEF 1115.69
    dimethyl isosorbide 1194.3
    tetrachloroethylene 2185.93
    eugenol 699.97
    triacetin 1009.05
    span 80 898.03
    1,4-butanediol 410.36
    1,1-dichloroethane 2952.48
    2-methyl-1-pentanol 1128.7
    methyl formate 457.32
    2-methyl-1-butanol 1132.39
    n-decane 336.2
    butyronitrile 1879.49
    3,7-dimethyl-1-octanol 936.33
    1-chlorooctane 945.03
    1-chlorotetradecane 390.36
    n-nonane 389.43
    undecane 256.85
    tert-butylcyclohexane 405.74
    cyclooctane 343.67
    cyclopentanol 952.26
    tetrahydropyran 2493.0
    tert-amyl methyl ether 1032.58
    2,5,8-trioxanonane 1334.39
    1-hexene 1938.45
    2-isopropoxyethanol 887.43
    2,2,2-trifluoroethanol 315.29
    methyl butyrate 1538.7

    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