(3-Aminopropyl)diethanolamine

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  • Identifiers

    CAS number
    4985-85-7

    Molecular formula
    C7H18N2O2

    SMILES
    C(CN)CN(CCO)CCO

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fishy 75.05%
    Odorless 41.92%
    Cheesy 32.57%
    Ripe 31.84%
    Sweet 26.16%
    Animal 24.96%
    Alcoholic 21.78%
    Savory 20.74%
    Oily 19.29%
    Meaty 17.74%

     

    Flavor
    Odorless 49.68%
    Sulfurous 31.46%
    Mild 30.89%
    Sulfury 24.42%
    Sweet-like 24.26%
    Bland 22.84%
    Fatty 22.66%
    Fishy 22.15%
    Meaty 21.25%
    Very slight 20.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.7

    pKa est.
    6.87 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point

    • 161.92 ˚C est.

  • Synonyms

    • N-(3-Aminopropyl)diethanolamine
    • 4985-85-7
    • (3-Aminopropyl)diethanolamine
    • Aminopropyldiethanolamine
    • 2,2'-[(3-Aminopropyl)imino]diethanol
    • Ethanol, 2,2'-[(3-aminopropyl)imino]bis-
    • N,N-Bis(2-hydroxyethyl)-1,3-diaminopropane
    • 2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol
    • 2,2'-((3-Aminopropyl)imino)diethanol
    • NSC 8172
    • Ethanol, 2,2'-(aminopropylimino)-
    • R21ZI8N14B
    • Aminopropyldiethanolamine (DOT)
    • N-(3-Aminopropyl)iminodiethanol
    • N,N-Bis(hydroxyethyl)-1,3-propanediamine
    • Ethanol, 2,2'-((3-aminopropyl)imino)di-
    • Ethanol, 2,2'-((3-aminopropyl)imino)bis-
    • N,N-Bis(2-hydroxyethyl)-1,3-propanediamine
    • NSC-8172
    • EINECS 225-642-0
    • 2-[(3-aminopropyl)-(2-hydroxyethyl)amino]-ethanol
    • N,N-Bis(hydroxyethyl)trimethylenediamine
    • N,N-Bis[(hydroxyethyl)trimethylene]diamine
    • AI3-52554
    • N,N-Di(2-hydroxyethyl)-1,3-propanediamine
    • DTXSID2044680
    • EC 225-642-0
    • 2-[(3-Amino-propyl)-(2-hydroxy-ethyl)-amino]-ethanol
    • 2,2'-(3-aminopropylazanediyl)diethanol
    • 3-[bis(2-hydroxyethyl)amino]propylamine
    • Ethanol, 2,2'-[(3-aminopropyl)imino]di-
    • (3-AMINOPROPYL)BIS(2-HYDROXYETHYL)AMINE
    • 3-(BIS(2-HYDROXYETHYL)AMINO)PROPYLAMINE
    • MFCD00047971
    • UNII-R21ZI8N14B
    • diethanolamino propylamine
    • WLN: Z3N2Q2Q
    • SCHEMBL352467
    • CHEMBL3186851
    • DTXCID0024680
    • Ethanol,2'-(aminopropylimino)-
    • N-(3-amino-propyl)diethanolamine
    • NSC8172
    • bis(2-hydroxyethyl)aminopropylamine
    • ALBB-014132
    • Tox21_301510
    • 3-(AMINOPROPYL)DIETHANOLAMINE
    • BBL009740
    • STK796823
    • AKOS000301248
    • FS-5382
    • SB83871
    • Ethanol,2'-[(3-aminopropyl)imino]di-
    • Ethanol,2'-[(3-aminopropyl)imino]bis-
    • NCGC00256274-01
    • BP-13041
    • CAS-4985-85-7
    • n n-bis[(hydroxyethyl)trimethylene]diamine
    • 3-[bis(2-hydroxy-ethyl)amino]-propylamine
    • DB-030073
    • A1280
    • n n-bis(2-hydroxyethyl)-1 3-propanediamine
    • NS00002276
    • D88406
    • N1,N1-bis(2-hydroxyethyl)-1,3-propanediamine
    • Ethanol, 2,2'-((3-aminopropyl)imino)di-(8CI)
    • Q27287690

  • Applications

    (3-Aminopropyl)diethanolamine, CAS 4985-85-7, has several industrial applications: used as a curing agent for epoxy resins in coatings, adhesives, and electronics encapsulation; employed as a crosslinking/chain-extending agent in polyurethane and polyurethane-urea systems; serves as an intermediate for the synthesis of specialty surfactants and polymeric materials; can function as a processing aid or corrosion-inhibiting component in metalworking fluids or water-treatment formulations; and is sometimes evaluated as a monomer/building block for polymeric systems to improve adhesion and durability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.13
    methanol 263.26
    isopropanol 3.81
    water 1788.67
    ethyl acetate 1.39
    n-propanol 19.91
    acetone 0.98
    n-butanol 7.94
    acetonitrile 1.88
    DMF 39.57
    toluene 0.33
    isobutanol 7.98
    1,4-dioxane 3.61
    methyl acetate 1.47
    THF 6.74
    2-butanone 1.09
    n-pentanol 3.25
    sec-butanol 4.3
    n-hexane 0.13
    ethylene glycol 404.15
    NMP 135.8
    cyclohexane 0.45
    DMSO 203.73
    n-butyl acetate 2.48
    n-octanol 1.39
    chloroform 3.83
    n-propyl acetate 1.33
    acetic acid 271.37
    dichloromethane 4.75
    cyclohexanone 8.12
    propylene glycol 149.22
    isopropyl acetate 0.68
    DMAc 25.5
    2-ethoxyethanol 25.69
    isopentanol 3.49
    n-heptane 0.38
    ethyl formate 8.6
    1,2-dichloroethane 2.72
    n-hexanol 5.54
    2-methoxyethanol 95.81
    isobutyl acetate 0.8
    tetrachloromethane 2.62
    n-pentyl acetate 1.23
    transcutol 24.25
    n-heptanol 2.87
    ethylbenzene 0.23
    MIBK 0.51
    2-propoxyethanol 26.11
    tert-butanol 3.52
    MTBE 0.4
    2-butoxyethanol 12.22
    propionic acid 76.74
    o-xylene 0.7
    formic acid 1510.2
    diethyl ether 0.42
    m-xylene 0.47
    p-xylene 0.36
    chlorobenzene 1.0
    dimethyl carbonate 2.37
    n-octane 0.12
    formamide 551.91
    cyclopentanone 11.64
    2-pentanone 0.75
    anisole 0.68
    cyclopentyl methyl ether 2.64
    gamma-butyrolactone 38.66
    1-methoxy-2-propanol 21.16
    pyridine 4.8
    3-pentanone 1.0
    furfural 63.61
    n-dodecane 0.07
    diethylene glycol 85.96
    diisopropyl ether 0.16
    tert-amyl alcohol 4.31
    acetylacetone 1.74
    n-hexadecane 0.08
    acetophenone 1.89
    methyl propionate 2.84
    isopentyl acetate 1.95
    trichloroethylene 6.11
    n-nonanol 1.25
    cyclohexanol 8.7
    benzyl alcohol 4.05
    2-ethylhexanol 2.62
    isooctanol 2.04
    dipropyl ether 1.22
    1,2-dichlorobenzene 1.92
    ethyl lactate 7.73
    propylene carbonate 18.84
    n-methylformamide 91.67
    2-pentanol 1.63
    n-pentane 0.15
    1-propoxy-2-propanol 11.6
    1-methoxy-2-propyl acetate 4.16
    2-(2-methoxypropoxy) propanol 8.11
    mesitylene 0.45
    ε-caprolactone 13.98
    p-cymene 0.96
    epichlorohydrin 10.6
    1,1,1-trichloroethane 1.27
    2-aminoethanol 296.58
    morpholine-4-carbaldehyde 65.49
    sulfolane 148.97
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 3.26
    n-hexyl acetate 1.42
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 11.23
    sec-butyl acetate 0.68
    tert-butyl acetate 0.86
    decalin 0.2
    glycerin 410.35
    diglyme 17.76
    acrylic acid 139.22
    isopropyl myristate 0.5
    n-butyric acid 36.72
    acetyl acetate 2.35
    di(2-ethylhexyl) phthalate 3.03
    ethyl propionate 1.39
    nitromethane 55.94
    1,2-diethoxyethane 1.14
    benzonitrile 2.76
    trioctyl phosphate 2.16
    1-bromopropane 0.79
    gamma-valerolactone 37.77
    n-decanol 0.85
    triethyl phosphate 3.54
    4-methyl-2-pentanol 0.9
    propionitrile 2.58
    vinylene carbonate 21.17
    1,1,2-trichlorotrifluoroethane 105.18
    DMS 2.71
    cumene 0.33
    2-octanol 0.93
    2-hexanone 0.67
    octyl acetate 0.88
    limonene 1.29
    1,2-dimethoxyethane 7.48
    ethyl orthosilicate 2.81
    tributyl phosphate 2.38
    diacetone alcohol 4.49
    N,N-dimethylaniline 1.05
    acrylonitrile 6.71
    aniline 3.63
    1,3-propanediol 128.23
    bromobenzene 0.66
    dibromomethane 2.48
    1,1,2,2-tetrachloroethane 5.99
    2-methyl-cyclohexyl acetate 2.76
    tetrabutyl urea 3.36
    diisobutyl methanol 1.17
    2-phenylethanol 4.68
    styrene 0.25
    dioctyl adipate 1.63
    dimethyl sulfate 13.24
    ethyl butyrate 2.34
    methyl lactate 19.32
    butyl lactate 6.27
    diethyl carbonate 2.18
    propanediol butyl ether 15.8
    triethyl orthoformate 2.82
    p-tert-butyltoluene 0.94
    methyl 4-tert-butylbenzoate 4.7
    morpholine 10.83
    tert-butylamine 1.45
    n-dodecanol 0.63
    dimethoxymethane 4.56
    ethylene carbonate 13.56
    cyrene 26.8
    2-ethoxyethyl acetate 2.06
    2-ethylhexyl acetate 1.62
    1,2,4-trichlorobenzene 2.73
    4-methylpyridine 2.23
    dibutyl ether 0.44
    2,6-dimethyl-4-heptanol 1.17
    DEF 6.35
    dimethyl isosorbide 15.71
    tetrachloroethylene 9.27
    eugenol 7.78
    triacetin 3.77
    span 80 11.7
    1,4-butanediol 40.38
    1,1-dichloroethane 0.71
    2-methyl-1-pentanol 2.18
    methyl formate 34.13
    2-methyl-1-butanol 6.0
    n-decane 0.11
    butyronitrile 1.75
    3,7-dimethyl-1-octanol 1.36
    1-chlorooctane 0.36
    1-chlorotetradecane 0.16
    n-nonane 0.11
    undecane 0.09
    tert-butylcyclohexane 0.15
    cyclooctane 0.19
    cyclopentanol 16.95
    tetrahydropyran 2.04
    tert-amyl methyl ether 0.65
    2,5,8-trioxanonane 13.56
    1-hexene 0.22
    2-isopropoxyethanol 6.98
    2,2,2-trifluoroethanol 146.88
    methyl butyrate 2.56

    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