xi-1-Butoxy-1-methoxyethane

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  • Identifiers

    CAS number
    75677-94-0

    Molecular formula
    C7H16O2

    SMILES
    CCCCOC(C)OC

  • Odor profile

    Green 92.14%
    Ethereal 88.0%
    Alcoholic 76.82%
    Cognac 73.92%
    Vegetable 50.79%
    Fermented 50.57%
    Fruity 50.03%
    Nutty 43.14%
    Pungent 41.05%
    Apple 39.67%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    130°C

    Flash point est.
    17.69 ˚C

  • Synonyms

    • xi-1-Butoxy-1-methoxyethane
    • 1-butoxy-1-methoxyethane
    • 1-(1-methoxyethoxy)butane
    • SCHEMBL441733
    • acetaldehyde butyl methyl acetal
    • CHEBI:186763
    • 75677-94-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6837.46
    methanol 6716.02
    isopropanol 5447.93
    water 11.82
    ethyl acetate 2543.2
    n-propanol 5162.42
    acetone 2623.86
    n-butanol 4833.46
    acetonitrile 3640.71
    DMF 1763.6
    toluene 1313.44
    isobutanol 3529.99
    1,4-dioxane 5019.64
    methyl acetate 2083.17
    THF 4762.9
    2-butanone 2200.04
    n-pentanol 3042.95
    sec-butanol 4989.11
    n-hexane 1588.58
    ethylene glycol 991.16
    NMP 1629.56
    cyclohexane 2605.24
    DMSO 2307.11
    n-butyl acetate 2266.77
    n-octanol 1306.81
    chloroform 10024.26
    n-propyl acetate 1464.16
    acetic acid 5125.62
    dichloromethane 7747.91
    cyclohexanone 3500.07
    propylene glycol 1487.23
    isopropyl acetate 1294.64
    DMAc 1559.98
    2-ethoxyethanol 2798.75
    isopentanol 3127.32
    n-heptane 1111.73
    ethyl formate 1797.2
    1,2-dichloroethane 3339.03
    n-hexanol 3360.91
    2-methoxyethanol 4077.87
    isobutyl acetate 830.9
    tetrachloromethane 2544.97
    n-pentyl acetate 1207.21
    transcutol 3975.5
    n-heptanol 1216.67
    ethylbenzene 738.39
    MIBK 824.59
    2-propoxyethanol 2754.54
    tert-butanol 5490.53
    MTBE 3431.39
    2-butoxyethanol 1479.53
    propionic acid 2906.69
    o-xylene 775.12
    formic acid 1267.11
    diethyl ether 3929.83
    m-xylene 703.09
    p-xylene 1033.81
    chlorobenzene 1719.26
    dimethyl carbonate 305.27
    n-octane 301.19
    formamide 1223.11
    cyclopentanone 2378.41
    2-pentanone 1711.3
    anisole 1132.21
    cyclopentyl methyl ether 2528.72
    gamma-butyrolactone 2405.45
    1-methoxy-2-propanol 2494.04
    pyridine 3812.12
    3-pentanone 1159.91
    furfural 2317.55
    n-dodecane 171.57
    diethylene glycol 1696.78
    diisopropyl ether 836.08
    tert-amyl alcohol 4700.35
    acetylacetone 1148.19
    n-hexadecane 186.84
    acetophenone 867.93
    methyl propionate 1268.45
    isopentyl acetate 1552.0
    trichloroethylene 5503.97
    n-nonanol 1030.24
    cyclohexanol 4525.95
    benzyl alcohol 1196.43
    2-ethylhexanol 1868.68
    isooctanol 899.98
    dipropyl ether 2011.66
    1,2-dichlorobenzene 1329.75
    ethyl lactate 602.16
    propylene carbonate 1508.76
    n-methylformamide 1484.45
    2-pentanol 3116.35
    n-pentane 1511.09
    1-propoxy-2-propanol 2080.35
    1-methoxy-2-propyl acetate 1006.72
    2-(2-methoxypropoxy) propanol 870.53
    mesitylene 434.33
    ε-caprolactone 3036.41
    p-cymene 556.34
    epichlorohydrin 3008.34
    1,1,1-trichloroethane 4211.97
    2-aminoethanol 2282.59
    morpholine-4-carbaldehyde 2174.85
    sulfolane 2017.57
    2,2,4-trimethylpentane 455.25
    2-methyltetrahydrofuran 4972.37
    n-hexyl acetate 1555.51
    isooctane 258.41
    2-(2-butoxyethoxy)ethanol 1290.64
    sec-butyl acetate 946.47
    tert-butyl acetate 1056.39
    decalin 511.08
    glycerin 1410.15
    diglyme 2375.4
    acrylic acid 2021.15
    isopropyl myristate 510.91
    n-butyric acid 4425.28
    acetyl acetate 1286.4
    di(2-ethylhexyl) phthalate 444.27
    ethyl propionate 1118.02
    nitromethane 3322.72
    1,2-diethoxyethane 1956.07
    benzonitrile 1840.04
    trioctyl phosphate 343.66
    1-bromopropane 3471.8
    gamma-valerolactone 2854.67
    n-decanol 682.16
    triethyl phosphate 504.9
    4-methyl-2-pentanol 1194.38
    propionitrile 3082.73
    vinylene carbonate 1442.42
    1,1,2-trichlorotrifluoroethane 2629.07
    DMS 618.45
    cumene 493.94
    2-octanol 948.61
    2-hexanone 1449.23
    octyl acetate 637.41
    limonene 1036.58
    1,2-dimethoxyethane 3603.72
    ethyl orthosilicate 582.39
    tributyl phosphate 442.83
    diacetone alcohol 1107.99
    N,N-dimethylaniline 719.45
    acrylonitrile 2700.45
    aniline 1914.14
    1,3-propanediol 2809.55
    bromobenzene 1793.26
    dibromomethane 5684.96
    1,1,2,2-tetrachloroethane 4786.74
    2-methyl-cyclohexyl acetate 873.62
    tetrabutyl urea 494.36
    diisobutyl methanol 784.74
    2-phenylethanol 1126.95
    styrene 1006.38
    dioctyl adipate 654.05
    dimethyl sulfate 433.06
    ethyl butyrate 1420.24
    methyl lactate 619.17
    butyl lactate 774.27
    diethyl carbonate 806.61
    propanediol butyl ether 1180.82
    triethyl orthoformate 1027.8
    p-tert-butyltoluene 517.09
    methyl 4-tert-butylbenzoate 665.17
    morpholine 6280.56
    tert-butylamine 4409.01
    n-dodecanol 508.81
    dimethoxymethane 1226.21
    ethylene carbonate 1379.01
    cyrene 673.31
    2-ethoxyethyl acetate 1064.55
    2-ethylhexyl acetate 1275.67
    1,2,4-trichlorobenzene 1510.34
    4-methylpyridine 3266.28
    dibutyl ether 1682.95
    2,6-dimethyl-4-heptanol 784.74
    DEF 1987.68
    dimethyl isosorbide 1081.26
    tetrachloroethylene 3736.99
    eugenol 686.54
    triacetin 1007.34
    span 80 1077.64
    1,4-butanediol 1294.92
    1,1-dichloroethane 4468.9
    2-methyl-1-pentanol 2244.96
    methyl formate 921.32
    2-methyl-1-butanol 3306.43
    n-decane 325.27
    butyronitrile 3669.66
    3,7-dimethyl-1-octanol 1128.55
    1-chlorooctane 826.65
    1-chlorotetradecane 303.14
    n-nonane 373.22
    undecane 217.87
    tert-butylcyclohexane 458.03
    cyclooctane 557.84
    cyclopentanol 3618.35
    tetrahydropyran 6766.07
    tert-amyl methyl ether 2230.8
    2,5,8-trioxanonane 1365.07
    1-hexene 3175.58
    2-isopropoxyethanol 1765.24
    2,2,2-trifluoroethanol 995.99
    methyl butyrate 1753.69

    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