3,3'-Dihydroxydipropyl ether

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  • Identifiers

    CAS number
    2396-61-4

    Molecular formula
    C6H14O3

    SMILES
    C(CO)COCCCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Alcoholic 56.96%
    Odorless 47.56%
    Ethereal 39.65%
    Fruity 28.69%
    Sweet 27.52%
    Solvent 27.3%
    Fermented 23.89%
    Oily 22.2%
    Pungent 19.16%
    Fishy 16.8%

     

    Flavor
    Sweet 61.1%
    Alcoholic 49.07%
    Bitter 46.88%
    Musty 37.7%
    Odorless 37.09%
    Fruit 29.53%
    Fusel 28.78%
    Pungent 28.25%
    Oil 26.48%
    Vegetable 26.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    7.93 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    270°C

    Flash point

    • 126.66 ˚C est.

  • Synonyms

    • 2396-61-4
    • 3,3'-Oxydipropanol
    • 3-(3-hydroxypropoxy)propan-1-ol
    • 3,3'-Oxybis(propan-1-ol)
    • 1-Propanol,3,3'-oxybis-
    • 3,3'-Dihydroxydipropyl ether
    • 1-Propanol, 3,3'-oxybis-
    • 4-oxa-1,7-heptanediol
    • S1OQ81LMNA
    • 3,3'-oxybis-1-propanol
    • 1-Propanol, 3,3'-oxydi-
    • EINECS 219-251-4
    • bis(3-hydroxypropyl) ether
    • NSC 362072
    • NSC-362072
    • DI-N-PROPYLENE GLYCOL
    • UNII-S1OQ81LMNA
    • 1,3-Dipropylene glycol
    • SCHEMBL15112
    • HO(CH2)3O(CH2)3OH
    • DTXSID10862919
    • MFCD00051023
    • NSC362072
    • AKOS028108419
    • AT19326
    • FD39337
    • Dipropylene glycol - mixture of isomers
    • BS-49919
    • SY116704
    • CS-0131092
    • NS00077153
    • EN300-104202
    • 3,3 inverted exclamation mark -Oxybis(1-propanol)
    • Q27288453
    • 219-251-4

  • Applications

    3,3'-Dihydroxydipropyl ether (CAS 2396-61-4) is a difunctional diol commonly used as a diol/chain extender in the production of polyurethane and polyether polyols; it also serves as a reactive diluent or building block in coatings and adhesives, including epoxy and acrylic resin systems; in cosmetics and personal care it can act as a humectant and solvent; in industrial formulations it may be employed as a solvent or co-solvent for cleaners and formulated products; and it is evaluated as an intermediate for specialty polymers and resin systems used in coatings, adhesives, and elastomer applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1529.63
    methanol 2916.04
    isopropanol 949.46
    water 90.69
    ethyl acetate 155.87
    n-propanol 949.72
    acetone 444.11
    n-butanol 714.74
    acetonitrile 298.5
    DMF 1188.79
    toluene 24.68
    isobutanol 493.99
    1,4-dioxane 459.13
    methyl acetate 195.75
    THF 747.64
    2-butanone 227.85
    n-pentanol 268.08
    sec-butanol 523.84
    n-hexane 18.3
    ethylene glycol 789.96
    NMP 715.02
    cyclohexane 47.54
    DMSO 1918.46
    n-butyl acetate 103.79
    n-octanol 82.02
    chloroform 373.61
    n-propyl acetate 109.15
    acetic acid 1680.8
    dichloromethane 382.83
    cyclohexanone 417.81
    propylene glycol 764.47
    isopropyl acetate 74.29
    DMAc 535.44
    2-ethoxyethanol 492.9
    isopentanol 337.25
    n-heptane 24.87
    ethyl formate 237.84
    1,2-dichloroethane 220.96
    n-hexanol 196.68
    2-methoxyethanol 1262.97
    isobutyl acetate 60.71
    tetrachloromethane 80.26
    n-pentyl acetate 66.7
    transcutol 604.98
    n-heptanol 82.31
    ethylbenzene 16.52
    MIBK 66.83
    2-propoxyethanol 346.53
    tert-butanol 698.85
    MTBE 140.96
    2-butoxyethanol 181.47
    propionic acid 842.56
    o-xylene 27.2
    formic acid 1176.16
    diethyl ether 151.4
    m-xylene 21.82
    p-xylene 26.06
    chlorobenzene 62.21
    dimethyl carbonate 65.17
    n-octane 7.55
    formamide 1027.71
    cyclopentanone 555.92
    2-pentanone 159.53
    anisole 58.63
    cyclopentyl methyl ether 233.41
    gamma-butyrolactone 696.09
    1-methoxy-2-propanol 638.59
    pyridine 256.09
    3-pentanone 106.38
    furfural 504.55
    n-dodecane 5.56
    diethylene glycol 431.11
    diisopropyl ether 26.19
    tert-amyl alcohol 399.64
    acetylacetone 133.77
    n-hexadecane 5.96
    acetophenone 77.52
    methyl propionate 172.86
    isopentyl acetate 76.33
    trichloroethylene 377.33
    n-nonanol 68.46
    cyclohexanol 435.25
    benzyl alcohol 115.14
    2-ethylhexanol 89.1
    isooctanol 61.16
    dipropyl ether 102.48
    1,2-dichlorobenzene 61.84
    ethyl lactate 113.74
    propylene carbonate 285.35
    n-methylformamide 877.25
    2-pentanol 277.13
    n-pentane 26.45
    1-propoxy-2-propanol 241.13
    1-methoxy-2-propyl acetate 94.51
    2-(2-methoxypropoxy) propanol 133.18
    mesitylene 17.73
    ε-caprolactone 334.28
    p-cymene 22.28
    epichlorohydrin 443.22
    1,1,1-trichloroethane 136.31
    2-aminoethanol 1138.87
    morpholine-4-carbaldehyde 573.5
    sulfolane 830.6
    2,2,4-trimethylpentane 12.22
    2-methyltetrahydrofuran 411.75
    n-hexyl acetate 90.18
    isooctane 7.27
    2-(2-butoxyethoxy)ethanol 194.54
    sec-butyl acetate 52.82
    tert-butyl acetate 74.12
    decalin 12.36
    glycerin 911.19
    diglyme 370.54
    acrylic acid 742.99
    isopropyl myristate 33.79
    n-butyric acid 758.77
    acetyl acetate 90.74
    di(2-ethylhexyl) phthalate 49.43
    ethyl propionate 86.44
    nitromethane 1026.45
    1,2-diethoxyethane 106.52
    benzonitrile 108.79
    trioctyl phosphate 41.63
    1-bromopropane 123.64
    gamma-valerolactone 603.13
    n-decanol 46.02
    triethyl phosphate 58.71
    4-methyl-2-pentanol 85.95
    propionitrile 263.95
    vinylene carbonate 254.44
    1,1,2-trichlorotrifluoroethane 587.22
    DMS 63.88
    cumene 16.67
    2-octanol 49.38
    2-hexanone 100.18
    octyl acetate 47.8
    limonene 43.35
    1,2-dimethoxyethane 460.41
    ethyl orthosilicate 55.79
    tributyl phosphate 49.87
    diacetone alcohol 170.34
    N,N-dimethylaniline 53.79
    acrylonitrile 341.45
    aniline 138.19
    1,3-propanediol 1072.9
    bromobenzene 45.1
    dibromomethane 238.74
    1,1,2,2-tetrachloroethane 344.03
    2-methyl-cyclohexyl acetate 73.2
    tetrabutyl urea 72.19
    diisobutyl methanol 47.8
    2-phenylethanol 81.41
    styrene 24.06
    dioctyl adipate 70.16
    dimethyl sulfate 154.34
    ethyl butyrate 95.12
    methyl lactate 198.96
    butyl lactate 99.39
    diethyl carbonate 63.75
    propanediol butyl ether 206.6
    triethyl orthoformate 80.34
    p-tert-butyltoluene 23.46
    methyl 4-tert-butylbenzoate 92.16
    morpholine 728.88
    tert-butylamine 345.41
    n-dodecanol 34.31
    dimethoxymethane 307.65
    ethylene carbonate 212.72
    cyrene 160.99
    2-ethoxyethyl acetate 76.85
    2-ethylhexyl acetate 57.69
    1,2,4-trichlorobenzene 79.38
    4-methylpyridine 165.76
    dibutyl ether 65.15
    2,6-dimethyl-4-heptanol 47.8
    DEF 293.71
    dimethyl isosorbide 182.43
    tetrachloroethylene 275.8
    eugenol 101.65
    triacetin 114.55
    span 80 157.58
    1,4-butanediol 362.9
    1,1-dichloroethane 176.65
    2-methyl-1-pentanol 141.79
    methyl formate 444.38
    2-methyl-1-butanol 339.73
    n-decane 9.51
    butyronitrile 259.5
    3,7-dimethyl-1-octanol 66.65
    1-chlorooctane 33.35
    1-chlorotetradecane 12.42
    n-nonane 9.84
    undecane 6.77
    tert-butylcyclohexane 11.92
    cyclooctane 12.1
    cyclopentanol 670.92
    tetrahydropyran 427.26
    tert-amyl methyl ether 105.83
    2,5,8-trioxanonane 243.71
    1-hexene 51.9
    2-isopropoxyethanol 222.56
    2,2,2-trifluoroethanol 521.41
    methyl butyrate 154.72

    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