1,1'-(Ethylidenebis(oxy))bispentane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13002-08-9

    Molecular formula
    C12H26O2

    SMILES
    CCCCCOC(C)OCCCCC

  • Odor profile

    Fragrance
    Green 97.35%
    Alcoholic 77.63%
    Cognac 76.64%
    Ethereal 71.39%
    Fermented 57.47%
    Vegetable 52.83%
    Apple 50.0%
    Malty 41.24%
    Cocoa 40.46%
    Oily 36.15%

     

    Flavor
    Fruity 65.27%
    Green 58.66%
    Herbal 43.84%
    Sweet 42.83%
    Earthy 34.21%
    Mushroom 30.62%
    Vegetable 30.02%
    Fatty 28.59%
    Tropical 28.52%
    Ethereal 28.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.83 (neutral)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 88.86 ˚C est.

  • Synonyms

    • Dipentoxyethane
    • 13002-08-9
    • Pentane, 1,1'-[ethylidenebis(oxy)]bis-
    • 1-(1-pentoxyethoxy)pentane
    • EINECS 235-838-8
    • Pentane, 1,1'-(ethylidenebis(oxy))bis-
    • DTXSID9065318
    • 1,1'-[ethylidenebis(oxy)]bispentane
    • 1,1'-(Ethylidenebis(oxy))bispentane
    • 1-[1-(pentyloxy)ethoxy]pentane
    • 1,1-dipentoxyethane
    • 1,1-dipentyloxy-ethane
    • acetaldehyde diamyl acetal
    • DTXCID7033947
    • MIAGHUUTGZIIJW-UHFFFAOYSA-N
    • ACETALDEHYDE DIPENTYL ACETAL
    • DB-254531
    • NS00021588
    • Q63409671
    • 235-838-8

  • Applications

    Chemical name 1,1'-(Ethylidenebis(oxy))bispentane (CAS 13002-08-9) is used primarily as an industrial solvent and processing aid in polymer and coating formulations; it may act as a plasticizer for select resins and as a reactive diluent in epoxy and polyurethane systems to adjust viscosity and cure characteristics; it can serve as a co-solvent/additive in coatings, inks, and adhesive formulations; it is employed as a cleaning solvent in industrial equipment maintenance; and it is commonly evaluated as a chemical intermediate for the synthesis of other specialty chemicals. It is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4377.05
    methanol 3476.57
    isopropanol 4360.61
    water 0.35
    ethyl acetate 7008.2
    n-propanol 4373.73
    acetone 6211.59
    n-butanol 4837.29
    acetonitrile 4205.9
    DMF 3367.96
    toluene 3995.28
    isobutanol 3958.91
    1,4-dioxane 7532.44
    methyl acetate 4249.72
    THF 9221.6
    2-butanone 5526.72
    n-pentanol 3645.38
    sec-butanol 5082.36
    n-hexane 6560.46
    ethylene glycol 297.64
    NMP 4291.76
    cyclohexane 10295.89
    DMSO 4945.2
    n-butyl acetate 8437.66
    n-octanol 2111.04
    chloroform 16629.81
    n-propyl acetate 5533.7
    acetic acid 3355.53
    dichloromethane 14340.14
    cyclohexanone 10680.44
    propylene glycol 596.84
    isopropyl acetate 5060.49
    DMAc 3264.51
    2-ethoxyethanol 2885.01
    isopentanol 5002.04
    n-heptane 4028.41
    ethyl formate 3008.9
    1,2-dichloroethane 9035.59
    n-hexanol 4748.9
    2-methoxyethanol 3426.04
    isobutyl acetate 3355.7
    tetrachloromethane 4677.54
    n-pentyl acetate 4885.57
    transcutol 7585.09
    n-heptanol 1958.08
    ethylbenzene 2428.07
    MIBK 3514.71
    2-propoxyethanol 4073.68
    tert-butanol 6079.7
    MTBE 8130.84
    2-butoxyethanol 2485.46
    propionic acid 3078.93
    o-xylene 2449.07
    formic acid 511.1
    diethyl ether 9421.9
    m-xylene 2259.79
    p-xylene 3434.94
    chlorobenzene 4954.88
    dimethyl carbonate 885.47
    n-octane 1085.25
    formamide 738.4
    cyclopentanone 6884.03
    2-pentanone 5728.07
    anisole 2819.14
    cyclopentyl methyl ether 7457.5
    gamma-butyrolactone 6028.17
    1-methoxy-2-propanol 2957.04
    pyridine 7405.4
    3-pentanone 4497.52
    furfural 4502.53
    n-dodecane 498.03
    diethylene glycol 1544.56
    diisopropyl ether 3456.61
    tert-amyl alcohol 5903.61
    acetylacetone 4287.16
    n-hexadecane 597.09
    acetophenone 2652.36
    methyl propionate 3424.91
    isopentyl acetate 6745.92
    trichloroethylene 13167.17
    n-nonanol 1891.57
    cyclohexanol 7659.85
    benzyl alcohol 1950.93
    2-ethylhexanol 4215.02
    isooctanol 1799.77
    dipropyl ether 6993.79
    1,2-dichlorobenzene 4268.7
    ethyl lactate 1288.4
    propylene carbonate 3948.22
    n-methylformamide 1814.81
    2-pentanol 4614.5
    n-pentane 4020.19
    1-propoxy-2-propanol 4285.63
    1-methoxy-2-propyl acetate 3629.78
    2-(2-methoxypropoxy) propanol 1715.64
    mesitylene 1728.08
    ε-caprolactone 8239.19
    p-cymene 1856.6
    epichlorohydrin 7091.78
    1,1,1-trichloroethane 11524.13
    2-aminoethanol 927.65
    morpholine-4-carbaldehyde 3887.74
    sulfolane 6181.28
    2,2,4-trimethylpentane 1356.03
    2-methyltetrahydrofuran 10401.59
    n-hexyl acetate 5148.95
    isooctane 901.52
    2-(2-butoxyethoxy)ethanol 2448.05
    sec-butyl acetate 4000.55
    tert-butyl acetate 4814.33
    decalin 2454.03
    glycerin 646.67
    diglyme 5157.44
    acrylic acid 1950.31
    isopropyl myristate 1710.64
    n-butyric acid 6340.49
    acetyl acetate 3607.81
    di(2-ethylhexyl) phthalate 1099.97
    ethyl propionate 4478.01
    nitromethane 4289.7
    1,2-diethoxyethane 6300.58
    benzonitrile 3783.08
    trioctyl phosphate 946.3
    1-bromopropane 9290.72
    gamma-valerolactone 6914.08
    n-decanol 1253.96
    triethyl phosphate 1768.58
    4-methyl-2-pentanol 2379.02
    propionitrile 4451.89
    vinylene carbonate 3361.02
    1,1,2-trichlorotrifluoroethane 4722.8
    DMS 2177.83
    cumene 1618.57
    2-octanol 1768.56
    2-hexanone 5007.51
    octyl acetate 1893.08
    limonene 3793.08
    1,2-dimethoxyethane 6591.99
    ethyl orthosilicate 2043.57
    tributyl phosphate 1405.99
    diacetone alcohol 2964.94
    N,N-dimethylaniline 1931.83
    acrylonitrile 3620.86
    aniline 3517.68
    1,3-propanediol 1765.86
    bromobenzene 6184.23
    dibromomethane 12135.9
    1,1,2,2-tetrachloroethane 12608.76
    2-methyl-cyclohexyl acetate 3306.67
    tetrabutyl urea 1632.35
    diisobutyl methanol 2397.41
    2-phenylethanol 2170.24
    styrene 3174.89
    dioctyl adipate 2128.81
    dimethyl sulfate 1268.48
    ethyl butyrate 5770.27
    methyl lactate 998.82
    butyl lactate 2297.17
    diethyl carbonate 2979.46
    propanediol butyl ether 1719.96
    triethyl orthoformate 3864.65
    p-tert-butyltoluene 1727.12
    methyl 4-tert-butylbenzoate 1898.71
    morpholine 8855.49
    tert-butylamine 5870.82
    n-dodecanol 945.83
    dimethoxymethane 2618.17
    ethylene carbonate 3643.48
    cyrene 1259.55
    2-ethoxyethyl acetate 3600.25
    2-ethylhexyl acetate 5784.12
    1,2,4-trichlorobenzene 4368.71
    4-methylpyridine 7261.0
    dibutyl ether 6347.14
    2,6-dimethyl-4-heptanol 2397.41
    DEF 5634.88
    dimethyl isosorbide 2762.21
    tetrachloroethylene 8928.57
    eugenol 1553.58
    triacetin 2695.23
    span 80 2083.52
    1,4-butanediol 837.38
    1,1-dichloroethane 10274.44
    2-methyl-1-pentanol 3458.35
    methyl formate 1275.08
    2-methyl-1-butanol 4643.83
    n-decane 1050.49
    butyronitrile 5976.54
    3,7-dimethyl-1-octanol 2432.05
    1-chlorooctane 2751.59
    1-chlorotetradecane 919.83
    n-nonane 1220.74
    undecane 670.36
    tert-butylcyclohexane 1926.31
    cyclooctane 2561.88
    cyclopentanol 5293.57
    tetrahydropyran 14615.08
    tert-amyl methyl ether 5681.21
    2,5,8-trioxanonane 2709.96
    1-hexene 9342.32
    2-isopropoxyethanol 2476.02
    2,2,2-trifluoroethanol 928.67
    methyl butyrate 6333.13

    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