1-Methoxy-3-(3-methoxypropoxy)propane

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  • Identifiers

    CAS number
    66226-74-2

    Molecular formula
    C8H18O3

    SMILES
    COCCCOCCCOC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Ethereal 74.82%
    Fruity 57.56%
    Alcoholic 56.81%
    Fermented 39.53%
    Sweet 32.74%
    Green 32.32%
    Cognac 29.97%
    Fresh 27.66%
    Solvent 26.75%
    Pungent 25.26%

     

    Flavor
    Sweet 56.34%
    Green 39.71%
    Alcoholic 39.22%
    Vegetable 37.08%
    Earthy 35.4%
    Ether 33.04%
    Musty 31.26%
    Fruit 30.05%
    Alcohol 29.58%
    Bitter 29.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    6.13 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    197°C

    Flash point

    • 74.84 ˚C est.

  • Synonyms

    • 1-methoxy-3-(3-methoxypropoxy)propane
    • 66226-74-2
    • DTXSID90274213
    • RefChem:197053
    • DTXCID8022327
    • 601-045-4
    • 111109-77-4
    • Propane, 1,1'-oxybis[3-methoxy-
    • Propane, oxybis(methoxy-
    • Propane, oxybis[methoxy-
    • methoxy-propyl-ether
    • DSSTox_CID_22327
    • DSSTox_RID_79997
    • UNII-Q4KC92LJ05
    • DSSTox_GSID_42327
    • SCHEMBL117963
    • Q4KC92LJ05
    • CHEMBL3182517
    • Di(propylene glycol) dimethyl ether
    • Tox21_301158
    • MFCD32691319
    • FD39373
    • NCGC00248310-01
    • NCGC00255056-01
    • LS-13545
    • CAS-111109-77-4
    • E84712
    • F852289
    • 111109-77-4

  • Applications

    1-Methoxy-3-(3-methoxypropoxy)propane (CAS 66226-74-2) is typically used as a solvent and processing aid in industrial manufacturing; it serves as a co-solvent for coatings, inks, and adhesives, helping dissolve or disperse formulation components. It is commonly evaluated as an intermediate in fragrance and specialty chemical syntheses, and may function as a plasticizer or processing solvent for polymers and elastomer systems. Additionally, it can be employed in cleaning formulations or as a reactive diluent in polymer formulations, depending on regulatory and compatibility constraints. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1629.74
    methanol 2346.08
    isopropanol 1085.03
    water 21.43
    ethyl acetate 851.41
    n-propanol 1103.53
    acetone 868.06
    n-butanol 880.76
    acetonitrile 925.41
    DMF 1161.93
    toluene 366.9
    isobutanol 670.73
    1,4-dioxane 1653.58
    methyl acetate 794.88
    THF 1606.94
    2-butanone 629.22
    n-pentanol 475.96
    sec-butanol 794.04
    n-hexane 144.29
    ethylene glycol 594.11
    NMP 1026.79
    cyclohexane 574.37
    DMSO 1503.32
    n-butyl acetate 412.7
    n-octanol 152.62
    chloroform 3985.51
    n-propyl acetate 377.85
    acetic acid 2610.18
    dichloromethane 3192.73
    cyclohexanone 1084.21
    propylene glycol 558.56
    isopropyl acetate 355.84
    DMAc 921.54
    2-ethoxyethanol 880.43
    isopentanol 546.49
    n-heptane 157.43
    ethyl formate 646.61
    1,2-dichloroethane 1455.62
    n-hexanol 431.78
    2-methoxyethanol 1682.55
    isobutyl acetate 206.65
    tetrachloromethane 943.32
    n-pentyl acetate 208.32
    transcutol 1211.8
    n-heptanol 165.77
    ethylbenzene 145.92
    MIBK 188.36
    2-propoxyethanol 726.79
    tert-butanol 1146.92
    MTBE 576.41
    2-butoxyethanol 358.17
    propionic acid 1238.16
    o-xylene 225.97
    formic acid 1190.53
    diethyl ether 907.37
    m-xylene 191.91
    p-xylene 214.44
    chlorobenzene 509.34
    dimethyl carbonate 162.84
    n-octane 39.88
    formamide 1141.88
    cyclopentanone 909.23
    2-pentanone 450.39
    anisole 279.15
    cyclopentyl methyl ether 821.58
    gamma-butyrolactone 1159.69
    1-methoxy-2-propanol 929.53
    pyridine 1237.76
    3-pentanone 389.11
    furfural 1111.06
    n-dodecane 23.28
    diethylene glycol 683.24
    diisopropyl ether 149.71
    tert-amyl alcohol 762.38
    acetylacetone 414.42
    n-hexadecane 26.39
    acetophenone 267.17
    methyl propionate 552.04
    isopentyl acetate 279.28
    trichloroethylene 2748.49
    n-nonanol 138.11
    cyclohexanol 1089.41
    benzyl alcohol 344.59
    2-ethylhexanol 254.46
    isooctanol 125.59
    dipropyl ether 404.67
    1,2-dichlorobenzene 431.47
    ethyl lactate 232.69
    propylene carbonate 603.43
    n-methylformamide 878.15
    2-pentanol 498.19
    n-pentane 189.69
    1-propoxy-2-propanol 534.61
    1-methoxy-2-propyl acetate 313.31
    2-(2-methoxypropoxy) propanol 260.12
    mesitylene 113.95
    ε-caprolactone 923.33
    p-cymene 115.9
    epichlorohydrin 1299.62
    1,1,1-trichloroethane 1582.38
    2-aminoethanol 895.92
    morpholine-4-carbaldehyde 1134.76
    sulfolane 1118.76
    2,2,4-trimethylpentane 63.72
    2-methyltetrahydrofuran 1336.02
    n-hexyl acetate 248.23
    isooctane 33.07
    2-(2-butoxyethoxy)ethanol 354.5
    sec-butyl acetate 231.1
    tert-butyl acetate 285.51
    decalin 92.52
    glycerin 714.53
    diglyme 816.92
    acrylic acid 1031.07
    isopropyl myristate 96.83
    n-butyric acid 1365.03
    acetyl acetate 504.05
    di(2-ethylhexyl) phthalate 108.78
    ethyl propionate 350.77
    nitromethane 1877.95
    1,2-diethoxyethane 460.71
    benzonitrile 424.86
    trioctyl phosphate 73.79
    1-bromopropane 954.71
    gamma-valerolactone 1236.82
    n-decanol 95.01
    triethyl phosphate 189.54
    4-methyl-2-pentanol 189.38
    propionitrile 741.04
    vinylene carbonate 615.45
    1,1,2-trichlorotrifluoroethane 1620.23
    DMS 215.85
    cumene 96.41
    2-octanol 99.86
    2-hexanone 285.92
    octyl acetate 129.16
    limonene 219.09
    1,2-dimethoxyethane 1047.44
    ethyl orthosilicate 199.27
    tributyl phosphate 103.84
    diacetone alcohol 366.19
    N,N-dimethylaniline 197.97
    acrylonitrile 805.25
    aniline 666.01
    1,3-propanediol 1029.87
    bromobenzene 501.69
    dibromomethane 2188.82
    1,1,2,2-tetrachloroethane 2354.12
    2-methyl-cyclohexyl acetate 238.84
    tetrabutyl urea 131.89
    diisobutyl methanol 147.05
    2-phenylethanol 263.49
    styrene 210.55
    dioctyl adipate 177.97
    dimethyl sulfate 282.3
    ethyl butyrate 363.81
    methyl lactate 304.06
    butyl lactate 192.72
    diethyl carbonate 240.52
    propanediol butyl ether 270.77
    triethyl orthoformate 293.4
    p-tert-butyltoluene 117.27
    methyl 4-tert-butylbenzoate 212.02
    morpholine 2185.39
    tert-butylamine 805.08
    n-dodecanol 74.39
    dimethoxymethane 611.74
    ethylene carbonate 547.82
    cyrene 280.98
    2-ethoxyethyl acetate 269.12
    2-ethylhexyl acetate 236.33
    1,2,4-trichlorobenzene 550.31
    4-methylpyridine 864.29
    dibutyl ether 264.81
    2,6-dimethyl-4-heptanol 147.05
    DEF 729.01
    dimethyl isosorbide 395.57
    tetrachloroethylene 1839.27
    eugenol 209.49
    triacetin 307.66
    span 80 289.72
    1,4-butanediol 385.47
    1,1-dichloroethane 1575.27
    2-methyl-1-pentanol 312.32
    methyl formate 585.83
    2-methyl-1-butanol 562.35
    n-decane 45.06
    butyronitrile 707.03
    3,7-dimethyl-1-octanol 153.4
    1-chlorooctane 133.66
    1-chlorotetradecane 51.68
    n-nonane 48.9
    undecane 29.92
    tert-butylcyclohexane 76.23
    cyclooctane 115.92
    cyclopentanol 1085.7
    tetrahydropyran 1818.45
    tert-amyl methyl ether 434.99
    2,5,8-trioxanonane 502.59
    1-hexene 309.86
    2-isopropoxyethanol 476.7
    2,2,2-trifluoroethanol 933.61
    methyl butyrate 491.57

    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