Benzene, ((2-methylpropoxy)methyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    940-49-8

    Molecular formula
    C11H16O

    SMILES
    CC(C)COCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 89.28%
    Floral 81.85%
    Green 69.4%
    Sweet 60.38%
    Rose 54.89%
    Hyacinth 39.19%
    Almond 38.98%
    Jasmin 35.93%
    Cherry 34.7%
    Tropical 32.02%

     

    Flavor
    Fruity 61.23%
    Floral 53.02%
    Sweet 52.35%
    Green 44.55%
    Earthy 37.45%
    Rose 37.44%
    Spicy 34.99%
    Wine 27.4%
    Mushroom 27.04%
    Herbal 26.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.46 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 74.15 ˚C est.

  • Synonyms

    • alpha-Isobutoxytoluene
    • 940-49-8
    • Benzene, ((2-methylpropoxy)methyl)-
    • Benzene, [(2-methylpropoxy)methyl]-
    • NSC-406202
    • (isobutoxymethyl)benzene
    • EINECS 213-372-6
    • i-butyl benzyl ether
    • NSC406202
    • benzyl isobutyl ether
    • AI3-02698
    • DN3UVV5552
    • SCHEMBL2234953
    • [(2-Methylpropoxy)methyl]benzene
    • DTXSID10240192
    • ADHMUPZYLITZIH-UHFFFAOYSA-N
    • NSC 406202
    • NS00039945

  • Applications

    Benzene, ((2-methylpropoxy)methyl)- (CAS 940-49-8) is used primarily as a solvent and processing aid in industrial manufacturing, including as a solvent for coatings, inks, and adhesives; as a processing aid and solvent for polymer and plastics formulations; as an intermediate in organic synthesis; and in industrial cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2184.81
    methanol 1719.93
    isopropanol 1325.19
    water 0.64
    ethyl acetate 2557.98
    n-propanol 1451.18
    acetone 1483.11
    n-butanol 1903.1
    acetonitrile 1668.0
    DMF 613.72
    toluene 954.72
    isobutanol 1089.28
    1,4-dioxane 3108.53
    methyl acetate 1435.03
    THF 2714.4
    2-butanone 1330.45
    n-pentanol 1429.48
    sec-butanol 1225.29
    n-hexane 1154.93
    ethylene glycol 207.96
    NMP 469.29
    cyclohexane 1224.41
    DMSO 869.92
    n-butyl acetate 3496.19
    n-octanol 639.84
    chloroform 5365.57
    n-propyl acetate 1767.0
    acetic acid 1756.19
    dichloromethane 4482.7
    cyclohexanone 1802.41
    propylene glycol 305.62
    isopropyl acetate 1406.36
    DMAc 580.33
    2-ethoxyethanol 1540.3
    isopentanol 1761.78
    n-heptane 1007.68
    ethyl formate 1261.14
    1,2-dichloroethane 2723.17
    n-hexanol 2317.42
    2-methoxyethanol 1746.57
    isobutyl acetate 1116.32
    tetrachloromethane 844.78
    n-pentyl acetate 1003.08
    transcutol 4946.66
    n-heptanol 739.11
    ethylbenzene 691.74
    MIBK 950.54
    2-propoxyethanol 2217.21
    tert-butanol 1699.61
    MTBE 2095.76
    2-butoxyethanol 1086.42
    propionic acid 914.97
    o-xylene 480.94
    formic acid 302.56
    diethyl ether 3109.37
    m-xylene 603.85
    p-xylene 806.3
    chlorobenzene 1222.93
    dimethyl carbonate 320.55
    n-octane 241.99
    formamide 366.55
    cyclopentanone 1171.96
    2-pentanone 1513.94
    anisole 1135.02
    cyclopentyl methyl ether 1518.77
    gamma-butyrolactone 1241.66
    1-methoxy-2-propanol 1221.63
    pyridine 1853.01
    3-pentanone 912.52
    furfural 1381.38
    n-dodecane 127.22
    diethylene glycol 1061.06
    diisopropyl ether 955.94
    tert-amyl alcohol 1319.61
    acetylacetone 1141.26
    n-hexadecane 141.14
    acetophenone 813.1
    methyl propionate 993.0
    isopentyl acetate 2542.32
    trichloroethylene 4289.99
    n-nonanol 557.53
    cyclohexanol 1334.0
    benzyl alcohol 753.71
    2-ethylhexanol 1696.36
    isooctanol 633.22
    dipropyl ether 2827.54
    1,2-dichlorobenzene 1032.6
    ethyl lactate 488.79
    propylene carbonate 1181.94
    n-methylformamide 450.16
    2-pentanol 1383.99
    n-pentane 804.6
    1-propoxy-2-propanol 1959.84
    1-methoxy-2-propyl acetate 1590.65
    2-(2-methoxypropoxy) propanol 835.77
    mesitylene 413.99
    ε-caprolactone 1637.47
    p-cymene 566.0
    epichlorohydrin 2361.21
    1,1,1-trichloroethane 2440.48
    2-aminoethanol 509.12
    morpholine-4-carbaldehyde 1187.3
    sulfolane 971.22
    2,2,4-trimethylpentane 262.55
    2-methyltetrahydrofuran 2221.82
    n-hexyl acetate 1197.88
    isooctane 256.34
    2-(2-butoxyethoxy)ethanol 1361.45
    sec-butyl acetate 1166.08
    tert-butyl acetate 1295.01
    decalin 421.65
    glycerin 354.18
    diglyme 2651.35
    acrylic acid 635.63
    isopropyl myristate 484.31
    n-butyric acid 2159.4
    acetyl acetate 1271.85
    di(2-ethylhexyl) phthalate 366.51
    ethyl propionate 1208.26
    nitromethane 1624.33
    1,2-diethoxyethane 2775.31
    benzonitrile 1064.19
    trioctyl phosphate 274.24
    1-bromopropane 2312.86
    gamma-valerolactone 1697.87
    n-decanol 405.32
    triethyl phosphate 547.76
    4-methyl-2-pentanol 788.71
    propionitrile 1295.82
    vinylene carbonate 1038.83
    1,1,2-trichlorotrifluoroethane 1432.33
    DMS 642.28
    cumene 472.97
    2-octanol 441.03
    2-hexanone 1457.43
    octyl acetate 562.43
    limonene 892.59
    1,2-dimethoxyethane 2763.59
    ethyl orthosilicate 640.4
    tributyl phosphate 408.0
    diacetone alcohol 952.57
    N,N-dimethylaniline 636.99
    acrylonitrile 1041.04
    aniline 899.18
    1,3-propanediol 927.5
    bromobenzene 1377.48
    dibromomethane 3491.82
    1,1,2,2-tetrachloroethane 3428.11
    2-methyl-cyclohexyl acetate 1099.41
    tetrabutyl urea 442.57
    diisobutyl methanol 869.64
    2-phenylethanol 971.2
    styrene 919.78
    dioctyl adipate 651.14
    dimethyl sulfate 272.55
    ethyl butyrate 2101.67
    methyl lactate 339.63
    butyl lactate 598.26
    diethyl carbonate 1212.71
    propanediol butyl ether 704.77
    triethyl orthoformate 1294.5
    p-tert-butyltoluene 535.78
    methyl 4-tert-butylbenzoate 582.74
    morpholine 3071.08
    tert-butylamine 1452.25
    n-dodecanol 332.58
    dimethoxymethane 995.92
    ethylene carbonate 1005.88
    cyrene 504.29
    2-ethoxyethyl acetate 1185.63
    2-ethylhexyl acetate 1937.79
    1,2,4-trichlorobenzene 1022.04
    4-methylpyridine 1711.82
    dibutyl ether 1641.56
    2,6-dimethyl-4-heptanol 869.64
    DEF 1149.35
    dimethyl isosorbide 1199.92
    tetrachloroethylene 2263.68
    eugenol 598.68
    triacetin 825.38
    span 80 769.99
    1,4-butanediol 450.71
    1,1-dichloroethane 2731.53
    2-methyl-1-pentanol 1320.16
    methyl formate 420.04
    2-methyl-1-butanol 1402.46
    n-decane 238.47
    butyronitrile 2129.79
    3,7-dimethyl-1-octanol 803.79
    1-chlorooctane 693.42
    1-chlorotetradecane 254.13
    n-nonane 278.0
    undecane 163.76
    tert-butylcyclohexane 412.75
    cyclooctane 413.83
    cyclopentanol 798.67
    tetrahydropyran 3333.76
    tert-amyl methyl ether 1290.01
    2,5,8-trioxanonane 1452.2
    1-hexene 2282.07
    2-isopropoxyethanol 1106.29
    2,2,2-trifluoroethanol 357.0
    methyl butyrate 1690.6

    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