Isoamyl benzyl ether

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  • Identifiers

    CAS number
    122-73-6

    Molecular formula
    C12H18O

    SMILES
    CC(C)CCOCC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 89.3%
    Green 75.85%
    Floral 69.76%
    Sweet 57.23%
    Herbal 44.35%
    Rose 40.53%
    Cherry 34.69%
    Jasmin 34.48%
    Almond 33.37%
    Hyacinth 32.1%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.67 (neutral)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point est.
    89.49 ˚C

  • Synonyms

    • Benzyl isoamyl ether
    • 122-73-6
    • Isoamyl benzyl ether
    • Benzyl isopentyl ether
    • Benzene, [(3-methylbutoxy)methyl]-
    • ETHER, BENZYL ISOPENTYL
    • Benzene, ((3-methylbutoxy)methyl)-
    • 3-methylbutoxymethylbenzene
    • Benzyl 3-methylbutyl ether
    • NSC 9294
    • EINECS 204-570-3
    • BRN 2251737
    • DTXSID7047439
    • AI3-00750
    • NSC-9294
    • I8034PF326
    • ((Isopentyloxy)methyl)benzene
    • DTXCID5027439
    • 3-06-00-01457 (Beilstein Handbook Reference)
    • gardenia oxide
    • Benzylisoamylether
    • Isoamylbenzylather
    • UNII-I8034PF326
    • MFCD00048371
    • iso-Amyl benzyl ether
    • SCHEMBL155702
    • (3-methyl-butoxymethyl)-benzene
    • CHEMBL3187882
    • WLN: 1Y1&2O1R
    • [(Isopentyloxy)methyl]benzene #
    • NSC9294
    • Tox21_303630
    • AKOS025294199
    • NCGC00256909-01
    • CAS-122-73-6
    • DB-041683
    • I0084
    • NS00012004
    • D91076
    • Q27280554
    • 204-570-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1668.77
    methanol 926.39
    isopropanol 1517.0
    water 0.42
    ethyl acetate 2203.94
    n-propanol 1422.26
    acetone 2284.97
    n-butanol 1492.85
    acetonitrile 1756.71
    DMF 838.3
    toluene 659.61
    isobutanol 1122.87
    1,4-dioxane 2986.13
    methyl acetate 1568.43
    THF 2406.82
    2-butanone 1721.45
    n-pentanol 1066.89
    sec-butanol 1258.69
    n-hexane 877.25
    ethylene glycol 181.1
    NMP 553.06
    cyclohexane 1088.98
    DMSO 1341.46
    n-butyl acetate 2189.79
    n-octanol 512.76
    chloroform 5141.27
    n-propyl acetate 1427.79
    acetic acid 1549.21
    dichloromethane 3960.04
    cyclohexanone 2064.0
    propylene glycol 388.59
    isopropyl acetate 1190.85
    DMAc 651.71
    2-ethoxyethanol 1090.96
    isopentanol 1293.8
    n-heptane 556.57
    ethyl formate 967.11
    1,2-dichloroethane 2889.22
    n-hexanol 1692.59
    2-methoxyethanol 1407.28
    isobutyl acetate 908.67
    tetrachloromethane 702.53
    n-pentyl acetate 714.16
    transcutol 4195.33
    n-heptanol 529.99
    ethylbenzene 486.42
    MIBK 884.69
    2-propoxyethanol 1641.69
    tert-butanol 1866.79
    MTBE 2010.97
    2-butoxyethanol 779.15
    propionic acid 1018.75
    o-xylene 407.9
    formic acid 201.06
    diethyl ether 2496.11
    m-xylene 443.78
    p-xylene 635.33
    chlorobenzene 1023.6
    dimethyl carbonate 324.7
    n-octane 171.46
    formamide 287.52
    cyclopentanone 1414.62
    2-pentanone 1452.25
    anisole 866.37
    cyclopentyl methyl ether 1288.62
    gamma-butyrolactone 1421.69
    1-methoxy-2-propanol 1174.92
    pyridine 1657.1
    3-pentanone 1075.8
    furfural 1272.9
    n-dodecane 105.29
    diethylene glycol 885.87
    diisopropyl ether 784.89
    tert-amyl alcohol 1294.09
    acetylacetone 1268.65
    n-hexadecane 118.9
    acetophenone 670.15
    methyl propionate 1061.86
    isopentyl acetate 1758.82
    trichloroethylene 4024.26
    n-nonanol 449.08
    cyclohexanol 1286.34
    benzyl alcohol 564.79
    2-ethylhexanol 1049.14
    isooctanol 467.3
    dipropyl ether 1814.18
    1,2-dichlorobenzene 969.37
    ethyl lactate 445.4
    propylene carbonate 1078.42
    n-methylformamide 459.9
    2-pentanol 1145.41
    n-pentane 535.75
    1-propoxy-2-propanol 1459.28
    1-methoxy-2-propyl acetate 1305.23
    2-(2-methoxypropoxy) propanol 758.12
    mesitylene 331.6
    ε-caprolactone 1621.25
    p-cymene 369.12
    epichlorohydrin 2204.7
    1,1,1-trichloroethane 2787.91
    2-aminoethanol 463.53
    morpholine-4-carbaldehyde 1088.13
    sulfolane 1270.8
    2,2,4-trimethylpentane 209.7
    2-methyltetrahydrofuran 1948.02
    n-hexyl acetate 945.08
    isooctane 202.01
    2-(2-butoxyethoxy)ethanol 1129.26
    sec-butyl acetate 927.35
    tert-butyl acetate 1166.16
    decalin 357.88
    glycerin 392.32
    diglyme 2151.16
    acrylic acid 671.37
    isopropyl myristate 427.52
    n-butyric acid 2013.96
    acetyl acetate 1105.6
    di(2-ethylhexyl) phthalate 302.62
    ethyl propionate 1051.71
    nitromethane 1816.31
    1,2-diethoxyethane 1933.72
    benzonitrile 826.52
    trioctyl phosphate 237.53
    1-bromopropane 1967.6
    gamma-valerolactone 1853.03
    n-decanol 340.96
    triethyl phosphate 422.92
    4-methyl-2-pentanol 621.39
    propionitrile 1278.39
    vinylene carbonate 965.96
    1,1,2-trichlorotrifluoroethane 1455.03
    DMS 664.47
    cumene 348.92
    2-octanol 358.41
    2-hexanone 1357.32
    octyl acetate 473.76
    limonene 631.27
    1,2-dimethoxyethane 2135.38
    ethyl orthosilicate 462.85
    tributyl phosphate 355.04
    diacetone alcohol 938.13
    N,N-dimethylaniline 489.53
    acrylonitrile 1061.72
    aniline 734.39
    1,3-propanediol 828.72
    bromobenzene 1133.37
    dibromomethane 3024.64
    1,1,2,2-tetrachloroethane 3851.03
    2-methyl-cyclohexyl acetate 827.05
    tetrabutyl urea 407.97
    diisobutyl methanol 609.88
    2-phenylethanol 713.77
    styrene 623.4
    dioctyl adipate 540.64
    dimethyl sulfate 367.94
    ethyl butyrate 1350.52
    methyl lactate 412.34
    butyl lactate 509.39
    diethyl carbonate 848.91
    propanediol butyl ether 643.95
    triethyl orthoformate 888.54
    p-tert-butyltoluene 358.72
    methyl 4-tert-butylbenzoate 526.77
    morpholine 2933.58
    tert-butylamine 1462.82
    n-dodecanol 283.43
    dimethoxymethane 913.44
    ethylene carbonate 930.82
    cyrene 440.16
    2-ethoxyethyl acetate 887.56
    2-ethylhexyl acetate 1277.38
    1,2,4-trichlorobenzene 977.83
    4-methylpyridine 1318.15
    dibutyl ether 1198.95
    2,6-dimethyl-4-heptanol 609.88
    DEF 1098.02
    dimethyl isosorbide 1020.66
    tetrachloroethylene 2237.93
    eugenol 509.49
    triacetin 750.53
    span 80 688.46
    1,4-butanediol 341.69
    1,1-dichloroethane 2933.41
    2-methyl-1-pentanol 903.65
    methyl formate 419.9
    2-methyl-1-butanol 1067.11
    n-decane 185.01
    butyronitrile 1633.02
    3,7-dimethyl-1-octanol 619.62
    1-chlorooctane 541.74
    1-chlorotetradecane 215.21
    n-nonane 211.75
    undecane 133.19
    tert-butylcyclohexane 327.04
    cyclooctane 326.96
    cyclopentanol 921.17
    tetrahydropyran 3240.3
    tert-amyl methyl ether 1058.32
    2,5,8-trioxanonane 1241.43
    1-hexene 1803.81
    2-isopropoxyethanol 864.67
    2,2,2-trifluoroethanol 358.11
    methyl butyrate 1452.04

    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
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%