1,1-Bis(2-methylpropoxy)pentane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13262-27-6

    Molecular formula
    C13H28O2

    SMILES
    CCCCC(OCC(C)C)OCC(C)C

  • Odor profile

    Fragrance
    Green 95.72%
    Alcoholic 79.25%
    Fermented 71.99%
    Cognac 62.84%
    Ethereal 61.59%
    Cocoa 60.0%
    Malty 56.57%
    Apple 40.73%
    Oily 37.34%
    Vegetable 26.56%

     

    Flavor
    Fruity 55.7%
    Green 53.13%
    Tropical 31.69%
    Herbal 27.73%
    Ethereal 25.11%
    Earthy 24.8%
    Oily 24.79%
    Fermented 23.34%
    Vegetable 22.99%
    Mushroom 21.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.13 (weak base)

    Molecular weight
    216.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 78.35 ˚C est.

  • Synonyms

    • 13262-27-6
    • 1,1-BIS(2-METHYLPROPOXY)PENTANE
    • valeraldehyde diisobutyl acetal
    • SCHEMBL14779424
    • DTXSID70697800
    • NS00125677

  • Applications

    Chemical name: 1,1-Bis(2-methylpropoxy)pentane; CAS number: 13262-27-6. This di-ether is used primarily as a non-reactive solvent and processing aid in industrial formulations, including coatings, inks, and adhesives, where it can help dissolve resins and provide primary or secondary diluent properties. It is commonly evaluated as an intermediate or blending component in the synthesis of ether-containing specialty chemicals and polymers. In fragrance and cosmetic applications, it may serve as a solvent for perfumery ingredients or act as a formulation solvent under controlled conditions. It can be employed as a cleaning or degreasing solvent in industrial cleaning formulations. Depending on formulation and regulatory limits, it may also function as a co-solvent or plasticizer in certain polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2362.53
    methanol 1670.78
    isopropanol 2409.02
    water 0.95
    ethyl acetate 2909.32
    n-propanol 2172.41
    acetone 2440.47
    n-butanol 2720.03
    acetonitrile 1571.59
    DMF 1706.83
    toluene 2067.11
    isobutanol 2298.31
    1,4-dioxane 3592.71
    methyl acetate 1861.53
    THF 4510.93
    2-butanone 2386.72
    n-pentanol 2405.2
    sec-butanol 2888.61
    n-hexane 3086.56
    ethylene glycol 207.44
    NMP 1826.32
    cyclohexane 4243.56
    DMSO 1581.13
    n-butyl acetate 5444.22
    n-octanol 2324.5
    chloroform 8954.78
    n-propyl acetate 2849.72
    acetic acid 2100.03
    dichloromethane 6516.47
    cyclohexanone 4541.19
    propylene glycol 464.79
    isopropyl acetate 2621.84
    DMAc 1758.34
    2-ethoxyethanol 1988.38
    isopentanol 3145.81
    n-heptane 3203.71
    ethyl formate 1761.13
    1,2-dichloroethane 3784.62
    n-hexanol 3927.33
    2-methoxyethanol 2099.86
    isobutyl acetate 2263.93
    tetrachloromethane 2501.41
    n-pentyl acetate 3309.65
    transcutol 5050.36
    n-heptanol 2264.94
    ethylbenzene 1892.92
    MIBK 2022.35
    2-propoxyethanol 2981.38
    tert-butanol 3466.39
    MTBE 4077.99
    2-butoxyethanol 2527.36
    propionic acid 1547.4
    o-xylene 1561.17
    formic acid 356.78
    diethyl ether 3180.26
    m-xylene 1535.55
    p-xylene 2913.86
    chlorobenzene 2564.36
    dimethyl carbonate 546.69
    n-octane 1191.51
    formamide 393.35
    cyclopentanone 3004.14
    2-pentanone 2514.47
    anisole 1871.17
    cyclopentyl methyl ether 3064.16
    gamma-butyrolactone 2748.83
    1-methoxy-2-propanol 1881.25
    pyridine 2921.22
    3-pentanone 1721.46
    furfural 2526.9
    n-dodecane 633.73
    diethylene glycol 1194.67
    diisopropyl ether 1874.4
    tert-amyl alcohol 3581.39
    acetylacetone 2206.51
    n-hexadecane 722.12
    acetophenone 1869.15
    methyl propionate 1498.5
    isopentyl acetate 5050.71
    trichloroethylene 6464.85
    n-nonanol 2101.5
    cyclohexanol 3690.41
    benzyl alcohol 1465.37
    2-ethylhexanol 3768.21
    isooctanol 2146.43
    dipropyl ether 3825.23
    1,2-dichlorobenzene 2339.76
    ethyl lactate 986.43
    propylene carbonate 2319.71
    n-methylformamide 882.56
    2-pentanol 2687.91
    n-pentane 1850.69
    1-propoxy-2-propanol 3314.15
    1-methoxy-2-propyl acetate 2442.45
    2-(2-methoxypropoxy) propanol 1652.47
    mesitylene 1246.57
    ε-caprolactone 4025.37
    p-cymene 1854.86
    epichlorohydrin 3557.5
    1,1,1-trichloroethane 5589.94
    2-aminoethanol 576.9
    morpholine-4-carbaldehyde 2107.64
    sulfolane 2543.58
    2,2,4-trimethylpentane 997.91
    2-methyltetrahydrofuran 4543.11
    n-hexyl acetate 3955.7
    isooctane 823.2
    2-(2-butoxyethoxy)ethanol 2286.05
    sec-butyl acetate 2447.35
    tert-butyl acetate 2608.15
    decalin 1683.94
    glycerin 494.24
    diglyme 4205.06
    acrylic acid 1031.39
    isopropyl myristate 1664.08
    n-butyric acid 3603.73
    acetyl acetate 1881.52
    di(2-ethylhexyl) phthalate 1055.24
    ethyl propionate 2164.56
    nitromethane 1958.74
    1,2-diethoxyethane 3511.62
    benzonitrile 2449.31
    trioctyl phosphate 998.08
    1-bromopropane 3965.88
    gamma-valerolactone 3556.74
    n-decanol 1484.81
    triethyl phosphate 1316.51
    4-methyl-2-pentanol 1832.32
    propionitrile 1878.33
    vinylene carbonate 1941.57
    1,1,2-trichlorotrifluoroethane 2578.49
    DMS 1417.7
    cumene 1527.3
    2-octanol 2035.26
    2-hexanone 2963.26
    octyl acetate 1883.1
    limonene 2904.83
    1,2-dimethoxyethane 4062.53
    ethyl orthosilicate 1530.61
    tributyl phosphate 1318.49
    diacetone alcohol 1919.37
    N,N-dimethylaniline 1556.21
    acrylonitrile 1555.18
    aniline 1558.74
    1,3-propanediol 1314.03
    bromobenzene 3031.9
    dibromomethane 5474.66
    1,1,2,2-tetrachloroethane 6099.86
    2-methyl-cyclohexyl acetate 2655.31
    tetrabutyl urea 1450.2
    diisobutyl methanol 2221.62
    2-phenylethanol 1934.21
    styrene 2016.46
    dioctyl adipate 1907.04
    dimethyl sulfate 633.96
    ethyl butyrate 3376.61
    methyl lactate 663.72
    butyl lactate 1994.05
    diethyl carbonate 2040.19
    propanediol butyl ether 1888.87
    triethyl orthoformate 2703.45
    p-tert-butyltoluene 1726.39
    methyl 4-tert-butylbenzoate 1748.4
    morpholine 3775.63
    tert-butylamine 3066.84
    n-dodecanol 1165.63
    dimethoxymethane 1422.63
    ethylene carbonate 1989.66
    cyrene 1093.67
    2-ethoxyethyl acetate 2502.0
    2-ethylhexyl acetate 4268.34
    1,2,4-trichlorobenzene 2467.29
    4-methylpyridine 3704.44
    dibutyl ether 4138.15
    2,6-dimethyl-4-heptanol 2221.62
    DEF 2336.05
    dimethyl isosorbide 2331.87
    tetrachloroethylene 4330.7
    eugenol 1545.54
    triacetin 2095.84
    span 80 1929.65
    1,4-butanediol 767.61
    1,1-dichloroethane 4695.89
    2-methyl-1-pentanol 2584.96
    methyl formate 745.93
    2-methyl-1-butanol 2669.82
    n-decane 1200.11
    butyronitrile 3279.08
    3,7-dimethyl-1-octanol 2582.31
    1-chlorooctane 2435.5
    1-chlorotetradecane 1019.77
    n-nonane 1380.31
    undecane 808.37
    tert-butylcyclohexane 1610.62
    cyclooctane 1629.52
    cyclopentanol 2596.72
    tetrahydropyran 5322.32
    tert-amyl methyl ether 3058.02
    2,5,8-trioxanonane 2261.18
    1-hexene 4253.53
    2-isopropoxyethanol 1865.22
    2,2,2-trifluoroethanol 570.9
    methyl butyrate 3312.27

    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