2-Propanol, 1-(bis(2-((1,3-dimethylbutylidene)amino)ethyl)amino)-3-phenoxy-

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  • Identifiers

    CAS number
    68541-07-1

    Molecular formula
    C25H43N3O2

    SMILES
    CC(C)CC(=NCCN(CCN=C(C)CC(C)C)CC(COC1=CC=CC=C1)O)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fishy 31.32%
    Mint 30.68%
    Cooling 29.67%
    Woody 27.66%
    Animal 26.33%
    Fresh 25.33%
    Savory 25.14%
    Floral 24.8%
    Grapefruit 24.18%
    Sweet 24.02%

     

    Flavor
    Mild 28.95%
    Herbal 27.63%
    Bitter 26.15%
    Bland 23.24%
    Odorless 20.06%
    Yeasty 19.91%
    Cedarleaf 19.57%
    Green pepper 19.55%
    Syrup 19.44%
    Carrot 19.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.72 (neutral)

    Molecular weight
    417.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    627°C

    Flash point

    • 215.54 ˚C est.

  • Synonyms

    • EINECS 271-340-7
    • 68541-07-1
    • 1-(Bis(2-(1,3-dimethylbutylideneamino)ethyl)amino)-3-phenoxypropan-2-ol
    • DTXSID90867669
    • 2-Propanol, 1-[bis[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]-3-phenoxy-
    • 2-Propanol, 1-(bis(2-((1,3-dimethylbutylidene)amino)ethyl)amino)-3-phenoxy-
    • DTXCID70815840
    • JSDNIAKHCKUYDD-UHFFFAOYSA-N
    • NS00064379
    • 2-Propanol, 1-bis2-(1,3-dimethylbutylidene)aminoethylamino-3-phenoxy-
    • 271-340-7

  • Applications

    Chemical name: 2-Propanol, 1-(bis(2-((1,3-dimethylbutylidene)amino)ethyl)amino)-3-phenoxy-, CAS 68541-07-1 is used mainly as an intermediate in organic synthesis for specialty chemicals, including polymer additives and dye precursors. It can function as a solvent or co-solvent in industrial manufacturing and in formulations for coatings, inks, and cleaning products. The amine groups on the molecule enable it to act as a reactive curing agent or crosslinker for epoxy resins in coatings and adhesives, and it may serve as a processing aid or modifier in polymers and plastics to tailor processing properties. In some formulation systems, it may be evaluated for use in specialty cleaners or as a formulation component under local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.8
    methanol 133.76
    isopropanol 30.15
    water 2.76
    ethyl acetate 102.49
    n-propanol 69.61
    acetone 127.49
    n-butanol 53.59
    acetonitrile 47.98
    DMF 118.21
    toluene 69.39
    isobutanol 50.89
    1,4-dioxane 118.51
    methyl acetate 106.89
    THF 219.72
    2-butanone 111.99
    n-pentanol 55.16
    sec-butanol 44.7
    n-hexane 6.89
    ethylene glycol 15.81
    NMP 249.4
    cyclohexane 13.65
    DMSO 236.2
    n-butyl acetate 70.22
    n-octanol 26.4
    chloroform 512.28
    n-propyl acetate 84.99
    acetic acid 342.89
    dichloromethane 542.83
    cyclohexanone 214.43
    propylene glycol 24.68
    isopropyl acetate 57.65
    DMAc 262.25
    2-ethoxyethanol 114.8
    isopentanol 42.85
    n-heptane 6.45
    ethyl formate 87.92
    1,2-dichloroethane 251.04
    n-hexanol 45.83
    2-methoxyethanol 114.58
    isobutyl acetate 64.16
    tetrachloromethane 72.37
    n-pentyl acetate 62.64
    transcutol 263.4
    n-heptanol 33.01
    ethylbenzene 27.67
    MIBK 48.29
    2-propoxyethanol 104.81
    tert-butanol 32.78
    MTBE 38.04
    2-butoxyethanol 83.81
    propionic acid 116.2
    o-xylene 44.79
    formic acid 136.79
    diethyl ether 48.54
    m-xylene 42.58
    p-xylene 39.88
    chlorobenzene 111.33
    dimethyl carbonate 43.94
    n-octane 2.88
    formamide 113.29
    cyclopentanone 214.48
    2-pentanone 80.62
    anisole 47.68
    cyclopentyl methyl ether 112.89
    gamma-butyrolactone 266.95
    1-methoxy-2-propanol 69.7
    pyridine 144.24
    3-pentanone 87.99
    furfural 219.71
    n-dodecane 1.74
    diethylene glycol 75.51
    diisopropyl ether 13.14
    tert-amyl alcohol 47.38
    acetylacetone 103.29
    n-hexadecane 1.98
    acetophenone 74.04
    methyl propionate 95.77
    isopentyl acetate 64.54
    trichloroethylene 472.87
    n-nonanol 27.75
    cyclohexanol 82.15
    benzyl alcohol 63.81
    2-ethylhexanol 35.24
    isooctanol 28.81
    dipropyl ether 39.88
    1,2-dichlorobenzene 98.28
    ethyl lactate 52.2
    propylene carbonate 145.75
    n-methylformamide 88.29
    2-pentanol 29.33
    n-pentane 5.15
    1-propoxy-2-propanol 72.5
    1-methoxy-2-propyl acetate 84.44
    2-(2-methoxypropoxy) propanol 77.39
    mesitylene 21.58
    ε-caprolactone 203.58
    p-cymene 22.18
    epichlorohydrin 291.59
    1,1,1-trichloroethane 183.43
    2-aminoethanol 43.27
    morpholine-4-carbaldehyde 176.06
    sulfolane 303.48
    2,2,4-trimethylpentane 5.1
    2-methyltetrahydrofuran 138.67
    n-hexyl acetate 66.63
    isooctane 2.15
    2-(2-butoxyethoxy)ethanol 96.64
    sec-butyl acetate 53.46
    tert-butyl acetate 53.29
    decalin 7.21
    glycerin 43.28
    diglyme 181.55
    acrylic acid 113.11
    isopropyl myristate 22.52
    n-butyric acid 144.47
    acetyl acetate 88.64
    di(2-ethylhexyl) phthalate 39.42
    ethyl propionate 67.64
    nitromethane 300.72
    1,2-diethoxyethane 73.28
    benzonitrile 59.69
    trioctyl phosphate 24.64
    1-bromopropane 109.91
    gamma-valerolactone 271.7
    n-decanol 18.69
    triethyl phosphate 44.22
    4-methyl-2-pentanol 19.87
    propionitrile 43.73
    vinylene carbonate 148.41
    1,1,2-trichlorotrifluoroethane 266.18
    DMS 71.01
    cumene 21.55
    2-octanol 18.81
    2-hexanone 70.96
    octyl acetate 34.65
    limonene 32.73
    1,2-dimethoxyethane 120.48
    ethyl orthosilicate 43.53
    tributyl phosphate 31.34
    diacetone alcohol 63.37
    N,N-dimethylaniline 37.17
    acrylonitrile 54.05
    aniline 82.05
    1,3-propanediol 57.38
    bromobenzene 110.44
    dibromomethane 327.95
    1,1,2,2-tetrachloroethane 346.43
    2-methyl-cyclohexyl acetate 64.19
    tetrabutyl urea 38.29
    diisobutyl methanol 16.34
    2-phenylethanol 54.96
    styrene 33.4
    dioctyl adipate 47.55
    dimethyl sulfate 93.02
    ethyl butyrate 66.86
    methyl lactate 57.82
    butyl lactate 61.79
    diethyl carbonate 48.12
    propanediol butyl ether 61.52
    triethyl orthoformate 57.23
    p-tert-butyltoluene 18.98
    methyl 4-tert-butylbenzoate 70.91
    morpholine 143.12
    tert-butylamine 18.81
    n-dodecanol 12.89
    dimethoxymethane 91.58
    ethylene carbonate 125.38
    cyrene 97.01
    2-ethoxyethyl acetate 100.26
    2-ethylhexyl acetate 60.4
    1,2,4-trichlorobenzene 131.56
    4-methylpyridine 119.41
    dibutyl ether 29.3
    2,6-dimethyl-4-heptanol 16.34
    DEF 97.12
    dimethyl isosorbide 124.88
    tetrachloroethylene 262.2
    eugenol 69.45
    triacetin 101.06
    span 80 67.85
    1,4-butanediol 35.44
    1,1-dichloroethane 177.3
    2-methyl-1-pentanol 51.73
    methyl formate 90.57
    2-methyl-1-butanol 54.4
    n-decane 3.84
    butyronitrile 42.97
    3,7-dimethyl-1-octanol 25.45
    1-chlorooctane 20.4
    1-chlorotetradecane 6.31
    n-nonane 3.55
    undecane 2.42
    tert-butylcyclohexane 5.7
    cyclooctane 4.69
    cyclopentanol 75.35
    tetrahydropyran 126.85
    tert-amyl methyl ether 44.4
    2,5,8-trioxanonane 115.04
    1-hexene 23.69
    2-isopropoxyethanol 83.14
    2,2,2-trifluoroethanol 138.13
    methyl butyrate 92.27

    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