Pentane, 1-(1-ethoxyethoxy)-

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C9H20O2

    SMILES
    CCCCCOC(C)OCC

  • Odor profile

    Green 96.27%
    Ethereal 83.37%
    Alcoholic 78.65%
    Cognac 76.73%
    Vegetable 55.06%
    Fermented 54.17%
    Fruity 50.33%
    Apple 45.71%
    Pungent 39.99%
    Malty 39.3%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    160.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point est.
    46.7 ˚C

  • Synonyms

    • 1-(1-Ethoxyethoxy)pentane
    • 13442-89-2
    • Acetaldehyde ethyl amyl acetal
    • Pentane, 1-(1-ethoxyethoxy)-
    • 1-ethoxy-1-pentoxyethane
    • 1-ETHOXY-1-PENTYLOXYETHANE
    • EINECS 236-580-9
    • xi-1-Ethoxy-1-pentyloxyethane
    • DTXSID00884605
    • 59184-43-9
    • 4-Methyl-3,50dioxadecane
    • SCHEMBL10004751
    • CHEBI:87272
    • DTXCID301024036
    • 1-ETHOXY-1-(PENTYLOXY)ETHANE
    • DB-363559
    • NS00053963
    • Q27105118
    • 236-580-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11285.02
    methanol 10666.96
    isopropanol 8341.15
    water 2.98
    ethyl acetate 6076.34
    n-propanol 8766.49
    acetone 6447.56
    n-butanol 8561.54
    acetonitrile 5841.06
    DMF 3600.89
    toluene 3098.96
    isobutanol 6485.52
    1,4-dioxane 8840.2
    methyl acetate 4141.78
    THF 9271.49
    2-butanone 5399.94
    n-pentanol 5525.56
    sec-butanol 8243.42
    n-hexane 5813.09
    ethylene glycol 1124.53
    NMP 3352.27
    cyclohexane 7043.09
    DMSO 5216.17
    n-butyl acetate 6302.14
    n-octanol 2348.58
    chloroform 15274.11
    n-propyl acetate 3834.8
    acetic acid 6918.55
    dichloromethane 12261.69
    cyclohexanone 8403.77
    propylene glycol 1693.57
    isopropyl acetate 3536.66
    DMAc 2951.51
    2-ethoxyethanol 4220.81
    isopentanol 6557.15
    n-heptane 2927.49
    ethyl formate 3133.22
    1,2-dichloroethane 7129.39
    n-hexanol 6803.91
    2-methoxyethanol 6201.58
    isobutyl acetate 2245.68
    tetrachloromethane 3982.76
    n-pentyl acetate 3126.86
    transcutol 8302.26
    n-heptanol 2025.56
    ethylbenzene 1652.55
    MIBK 2356.21
    2-propoxyethanol 5563.52
    tert-butanol 9038.25
    MTBE 7962.62
    2-butoxyethanol 2404.74
    propionic acid 4514.23
    o-xylene 1680.32
    formic acid 1527.11
    diethyl ether 10544.76
    m-xylene 1670.25
    p-xylene 2276.63
    chlorobenzene 3503.86
    dimethyl carbonate 677.86
    n-octane 746.38
    formamide 1541.62
    cyclopentanone 4913.09
    2-pentanone 4727.8
    anisole 2168.06
    cyclopentyl methyl ether 6029.73
    gamma-butyrolactone 4553.84
    1-methoxy-2-propanol 4099.95
    pyridine 6980.68
    3-pentanone 3317.32
    furfural 3629.46
    n-dodecane 370.09
    diethylene glycol 2726.86
    diisopropyl ether 2572.34
    tert-amyl alcohol 8058.38
    acetylacetone 3061.33
    n-hexadecane 417.49
    acetophenone 1698.61
    methyl propionate 2945.99
    isopentyl acetate 4365.4
    trichloroethylene 9858.51
    n-nonanol 1900.29
    cyclohexanol 8805.14
    benzyl alcohol 1965.56
    2-ethylhexanol 4279.95
    isooctanol 1621.99
    dipropyl ether 5403.72
    1,2-dichlorobenzene 2729.16
    ethyl lactate 1086.84
    propylene carbonate 2746.94
    n-methylformamide 2473.25
    2-pentanol 6170.05
    n-pentane 3955.89
    1-propoxy-2-propanol 4322.71
    1-methoxy-2-propyl acetate 2692.66
    2-(2-methoxypropoxy) propanol 1657.4
    mesitylene 1093.59
    ε-caprolactone 6467.79
    p-cymene 1176.5
    epichlorohydrin 5786.02
    1,1,1-trichloroethane 7803.15
    2-aminoethanol 2740.88
    morpholine-4-carbaldehyde 3921.54
    sulfolane 4303.59
    2,2,4-trimethylpentane 1138.87
    2-methyltetrahydrofuran 10082.07
    n-hexyl acetate 3737.89
    isooctane 706.15
    2-(2-butoxyethoxy)ethanol 2476.09
    sec-butyl acetate 2558.56
    tert-butyl acetate 3087.43
    decalin 1525.93
    glycerin 1640.48
    diglyme 4488.29
    acrylic acid 2894.12
    isopropyl myristate 1126.84
    n-butyric acid 7799.11
    acetyl acetate 2944.23
    di(2-ethylhexyl) phthalate 856.18
    ethyl propionate 2800.29
    nitromethane 5337.85
    1,2-diethoxyethane 5179.71
    benzonitrile 3171.37
    trioctyl phosphate 685.94
    1-bromopropane 8183.38
    gamma-valerolactone 5642.14
    n-decanol 1248.49
    triethyl phosphate 1075.9
    4-methyl-2-pentanol 2445.53
    propionitrile 5167.42
    vinylene carbonate 2556.87
    1,1,2-trichlorotrifluoroethane 4380.68
    DMS 1488.01
    cumene 1062.08
    2-octanol 1629.06
    2-hexanone 3947.41
    octyl acetate 1377.64
    limonene 2449.72
    1,2-dimethoxyethane 7055.39
    ethyl orthosilicate 1269.19
    tributyl phosphate 999.81
    diacetone alcohol 2399.59
    N,N-dimethylaniline 1414.55
    acrylonitrile 4104.56
    aniline 3392.95
    1,3-propanediol 3951.84
    bromobenzene 3986.28
    dibromomethane 10435.42
    1,1,2,2-tetrachloroethane 9114.02
    2-methyl-cyclohexyl acetate 2028.63
    tetrabutyl urea 1147.55
    diisobutyl methanol 1799.15
    2-phenylethanol 2111.5
    styrene 2255.71
    dioctyl adipate 1424.28
    dimethyl sulfate 930.31
    ethyl butyrate 3576.77
    methyl lactate 1033.02
    butyl lactate 1660.79
    diethyl carbonate 1810.4
    propanediol butyl ether 1950.28
    triethyl orthoformate 2374.3
    p-tert-butyltoluene 1108.88
    methyl 4-tert-butylbenzoate 1283.85
    morpholine 11172.0
    tert-butylamine 7666.64
    n-dodecanol 935.69
    dimethoxymethane 2710.21
    ethylene carbonate 2688.92
    cyrene 1114.86
    2-ethoxyethyl acetate 2600.77
    2-ethylhexyl acetate 3655.78
    1,2,4-trichlorobenzene 2894.62
    4-methylpyridine 6428.88
    dibutyl ether 4577.67
    2,6-dimethyl-4-heptanol 1799.15
    DEF 4734.44
    dimethyl isosorbide 2178.25
    tetrachloroethylene 6847.89
    eugenol 1188.55
    triacetin 2020.11
    span 80 1914.04
    1,4-butanediol 1721.4
    1,1-dichloroethane 8550.47
    2-methyl-1-pentanol 4608.64
    methyl formate 1555.32
    2-methyl-1-butanol 6690.84
    n-decane 739.03
    butyronitrile 6543.52
    3,7-dimethyl-1-octanol 2396.99
    1-chlorooctane 2009.69
    1-chlorotetradecane 664.78
    n-nonane 897.74
    undecane 482.08
    tert-butylcyclohexane 1271.99
    cyclooctane 1577.49
    cyclopentanol 6269.84
    tetrahydropyran 14459.14
    tert-amyl methyl ether 5246.52
    2,5,8-trioxanonane 2534.55
    1-hexene 9341.72
    2-isopropoxyethanol 3037.07
    2,2,2-trifluoroethanol 1361.81
    methyl butyrate 4136.55

    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
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 4.6%