Diethanolamine

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  • Identifiers

    CAS number
    111-42-2

    Molecular formula
    C4H11NO2

    SMILES
    C(CO)NCCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fishy 60.0%
    Odorless 47.34%
    Sweet 30.53%
    Alcoholic 30.46%
    Ripe 18.36%
    Oily 18.3%
    Cheesy 16.8%
    Savory 15.54%
    Animal 14.82%
    Solvent 14.07%

     

    Flavor
    Odorless 64.64%
    Sweet 35.27%
    Sweet-like 27.71%
    Bitter 25.4%
    Mild 23.75%
    Very slight 23.44%
    Sulfurous 22.62%
    Cauliflower 21.19%
    Soup 20.91%
    Alcoholic 20.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    7.61 (neutral)

    Molecular weight
    105.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 82 °F (NTP, 1992)
    • 27.9 °C
    • 28 °C
    • 82 °F

    Boiling point

    • 516.4 °F at 760 mmHg (Decomposes) (NTP, 1992)
    • 268.8 °C
    • BP: 217 °C at 150 mm Hg; 20 °C at 0.01 mm Hg
    • 268.80 °C. @ 760.00 mm Hg
    • 269 °C
    • 516 °F (decomposes)
    • 516 °F (Decomposes)

    Flash point

    • 146.53 ˚C est.
    • 279 °F (NTP, 1992)
    • 279 °F
    • 134 °C (Open cup)
    • 342 °F (172 °C) (open cup)
    • 134 °C o.c.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 57 °F (NTP, 1992)
    • Miscible (1X10+6 mg/L) with water at 20 °C
    • Very soluble in water, ethanol; slightly soluble in ethyl ether, benzene
    • Miscible with methanol. acetone, alcohol, chloroform, glycerin. Solubility at 25 °C in benzene: 4.2%; in ether: 0.8%; in carbon tetrachloride: <0.1%; in heptane: <0.1%. Slightly soluble to insoluble in petroleum ether.
    • 1000 mg/mL at 20 °C
    • Solubility in water: very good
    • 95%

  • Synonyms

    • DIETHANOLAMINE
    • 111-42-2
    • 2,2'-Iminodiethanol
    • Diolamine
    • Bis(2-hydroxyethyl)amine
    • Iminodiethanol
    • Diethylolamine
    • 2-(2-Hydroxyethylamino)ethanol
    • 2,2'-Dihydroxydiethylamine
    • N,N-Diethanolamine
    • Diethanolamin
    • Ethanol, 2,2'-iminobis-
    • 2,2'-Iminobisethanol
    • Di(2-hydroxyethyl)amine
    • N,N'-Iminodiethanol
    • Niax DEOA-LF
    • Diaethanolamin
    • 2,2'-Azanediyldiethanol
    • Bis(hydroxyethyl)amine
    • Dabco DEOA-LF
    • 2-[(2-hydroxyethyl)amino]ethan-1-ol
    • N,N-Bis(2-hydroxyethyl)amine
    • 2,2'-Iminodi-1-ethanol
    • N,N-Di(hydroxyethyl)amine
    • H2dea
    • NCI-C55174
    • Di(beta-hydroxyethyl)amine
    • Bis-2-hydroxyethylamine
    • MFCD00002843
    • Diethylamine, 2,2'-dihydroxy-
    • Diolamine [INN]
    • Tegoamin deoa 85
    • Ethanol, 2,2'-iminodi-
    • NSC 4959
    • 2,2'Iminobisethanol
    • CCRIS 5906
    • HSDB 924
    • UNII-AZE05TDV2V
    • 2,2'-Iminobis[ethanol]
    • AZE05TDV2V
    • 2-[(2-Hydroxyethyl)amino]ethanol
    • NSC-4959
    • EINECS 203-868-0
    • bis-(2-hydroxy-ethyl)-amine
    • BRN 0605315
    • Diethanolamine (NF)
    • Diethanolamine [NF]
    • DTXSID3021932
    • CHEBI:28123
    • AI3-15335
    • DTXCID601932
    • EC 203-868-0
    • 2-((2-Hydroxyethyl)amino)ethanol
    • 4-04-00-01514 (Beilstein Handbook Reference)
    • 2,2'-iminobis(ethanol)
    • DIOLAMINE (MART.)
    • DIOLAMINE [MART.]
    • DIETHANOLAMINE (II)
    • DIETHANOLAMINE [II]
    • Diolamine (VAN)
    • DIETHANOLAMINE (IARC)
    • DIETHANOLAMINE [IARC]
    • AMINE,DIETHYL,2,2'-DIHYDROXY DIETHANOLAMINE
    • DIETHANOLAMINE (USP-RS)
    • DIETHANOLAMINE [USP-RS]
    • Diethanolamin [Czech]
    • Diaethanolamin [German]
    • CAS-111-42-2
    • TROLAMINE IMPURITY B (EP IMPURITY)
    • TROLAMINE IMPURITY B [EP IMPURITY]
    • ethane, 1-hydroxy-2-(2-hydroxyethyl)amino-
    • 2,2'-Dihydroxydiethyamine
    • diethanolarnine
    • Diolamina
    • diethanol amine
    • Aliphatic amine
    • 2,2'-Iminobis
    • Diethanolamine, 99%
    • Ethanol,2'-iminodi-
    • N, N-diethanol amine
    • Ethanol,2'-iminobis-
    • bis-(2-hydroxyethyl)amine
    • bmse000371
    • Diethanol, 2,2'-imino-
    • DIETHANOLAMINE [MI]
    • Diethylamine,2'-dihydroxy-
    • SCHEMBL2324
    • bis-(2-hydroxyethyl)-amine
    • NCIOpen2_008991
    • WLN: Q2M2Q
    • (HOCH2 CH2)2NH
    • DIETHANOLAMINE [HSDB]
    • ghl.PD_Mitscher_leg0.542
    • bis-(2-hydroxy-ethyl) amine
    • MLS001065608
    • BIDD:GT0277
    • DIETHANOLAMINE [VANDF]
    • Diethanolamine, LR, >=98%
    • CHEMBL119604
    • SCHEMBL5200828
    • 2-(2-hydroxy-ethylamino)ethanol
    • 2-(2-hydroxyethylamino)-ethanol
    • Diethanolamine, Biochemical grade
    • DI(2-HYDROXYETHYL) AMINE
    • MSK9086
    • NSC4959
    • 2,2'-Azanediylbis(ethan-1-ol)
    • BIS-(2-HYDROXY)ETHYLAMINE
    • Diethanolamine, ACS reagent grade
    • 2-(2-hydroxy-ethylamino)-ethanol
    • Diethanolamine, analytical standard
    • Diethanolamine, puriss., 99.0%
    • HMS2269D18
    • STR03965
    • 2,2'-DIHYDROXYDIETHYL AMINE
    • Tox21_201701
    • Tox21_300034
    • Diethanolamine, BioXtra, >=98.5%
    • STL264122
    • 2,2'-Iminodiethanol (Diethanolamine)
    • AKOS000119884
    • AMINE, DIETHYL, 2,2-DIHYDROXY-
    • Diethanolamine, ACS reagent, >=98.5%
    • NCGC00091478-01
    • NCGC00091478-02
    • NCGC00091478-03
    • NCGC00091478-04
    • NCGC00254061-01

  • Applications

    Diethanolamine (CAS 111-42-2) is a versatile industrial intermediate used to synthesize diethanolamide-based surfactants for detergents, cleaners, and personal care formulations. It also serves as a pH adjuster and reactive intermediate in cosmetics and household products, enabling stable emulsions and controlled viscosity. In polymers and coatings, it acts as a building block for specialty resins and curing agents in polyurethane and epoxy systems. Overall, its applications span surfactants, personal care, polymers/resins, and coatings/inks, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.53
    methanol 284.87
    isopropanol 20.92
    water 767.94
    ethyl acetate 3.89
    n-propanol 43.18
    acetone 5.25
    n-butanol 23.01
    acetonitrile 6.96
    DMF 155.51
    toluene 0.43
    isobutanol 16.49
    1,4-dioxane 19.75
    methyl acetate 4.84
    THF 25.85
    2-butanone 3.71
    n-pentanol 9.34
    sec-butanol 13.49
    n-hexane 0.36
    ethylene glycol 336.92
    NMP 188.05
    cyclohexane 1.2
    DMSO 236.3
    n-butyl acetate 4.05
    n-octanol 4.41
    chloroform 6.61
    n-propyl acetate 2.81
    acetic acid 226.05
    dichloromethane 9.28
    cyclohexanone 16.66
    propylene glycol 146.42
    isopropyl acetate 1.72
    DMAc 70.06
    2-ethoxyethanol 43.34
    isopentanol 7.31
    n-heptane 1.18
    ethyl formate 14.09
    1,2-dichloroethane 5.55
    n-hexanol 10.63
    2-methoxyethanol 147.91
    isobutyl acetate 1.53
    tetrachloromethane 2.31
    n-pentyl acetate 2.86
    transcutol 44.38
    n-heptanol 6.53
    ethylbenzene 0.35
    MIBK 1.11
    2-propoxyethanol 38.42
    tert-butanol 11.16
    MTBE 1.53
    2-butoxyethanol 22.27
    propionic acid 82.91
    o-xylene 0.79
    formic acid 641.63
    diethyl ether 2.17
    m-xylene 0.49
    p-xylene 0.53
    chlorobenzene 1.57
    dimethyl carbonate 4.62
    n-octane 0.41
    formamide 328.02
    cyclopentanone 24.64
    2-pentanone 2.54
    anisole 1.42
    cyclopentyl methyl ether 6.16
    gamma-butyrolactone 62.06
    1-methoxy-2-propanol 47.94
    pyridine 10.17
    3-pentanone 2.39
    furfural 71.64
    n-dodecane 0.29
    diethylene glycol 85.49
    diisopropyl ether 0.54
    tert-amyl alcohol 9.25
    acetylacetone 3.48
    n-hexadecane 0.3
    acetophenone 3.04
    methyl propionate 6.66
    isopentyl acetate 2.69
    trichloroethylene 8.4
    n-nonanol 3.88
    cyclohexanol 18.38
    benzyl alcohol 6.41
    2-ethylhexanol 4.55
    isooctanol 3.99
    dipropyl ether 3.54
    1,2-dichlorobenzene 2.67
    ethyl lactate 10.47
    propylene carbonate 23.76
    n-methylformamide 138.84
    2-pentanol 5.65
    n-pentane 0.53
    1-propoxy-2-propanol 19.89
    1-methoxy-2-propyl acetate 6.33
    2-(2-methoxypropoxy) propanol 15.11
    mesitylene 0.52
    ε-caprolactone 24.45
    p-cymene 1.16
    epichlorohydrin 20.55
    1,1,1-trichloroethane 1.66
    2-aminoethanol 256.39
    morpholine-4-carbaldehyde 117.67
    sulfolane 142.31
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 9.59
    n-hexyl acetate 3.74
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 21.36
    sec-butyl acetate 1.31
    tert-butyl acetate 1.65
    decalin 0.39
    glycerin 307.49
    diglyme 30.65
    acrylic acid 124.84
    isopropyl myristate 1.48
    n-butyric acid 48.19
    acetyl acetate 3.3
    di(2-ethylhexyl) phthalate 4.94
    ethyl propionate 2.79
    nitromethane 85.32
    1,2-diethoxyethane 4.08
    benzonitrile 4.56
    trioctyl phosphate 4.07
    1-bromopropane 1.89
    gamma-valerolactone 62.36
    n-decanol 2.84
    triethyl phosphate 4.78
    4-methyl-2-pentanol 1.99
    propionitrile 6.93
    vinylene carbonate 26.69
    1,1,2-trichlorotrifluoroethane 88.19
    DMS 5.36
    cumene 0.46
    2-octanol 2.72
    2-hexanone 1.7
    octyl acetate 2.59
    limonene 1.94
    1,2-dimethoxyethane 20.65
    ethyl orthosilicate 3.98
    tributyl phosphate 4.15
    diacetone alcohol 6.91
    N,N-dimethylaniline 2.28
    acrylonitrile 14.6
    aniline 4.72
    1,3-propanediol 149.6
    bromobenzene 0.92
    dibromomethane 4.46
    1,1,2,2-tetrachloroethane 9.05
    2-methyl-cyclohexyl acetate 4.11
    tetrabutyl urea 7.37
    diisobutyl methanol 2.14
    2-phenylethanol 5.81
    styrene 0.45
    dioctyl adipate 4.11
    dimethyl sulfate 18.76
    ethyl butyrate 3.8
    methyl lactate 25.32
    butyl lactate 10.01
    diethyl carbonate 3.08
    propanediol butyl ether 26.79
    triethyl orthoformate 4.5
    p-tert-butyltoluene 1.19
    methyl 4-tert-butylbenzoate 7.27
    morpholine 38.76
    tert-butylamine 4.76
    n-dodecanol 2.22
    dimethoxymethane 17.91
    ethylene carbonate 19.59
    cyrene 30.91
    2-ethoxyethyl acetate 4.41
    2-ethylhexyl acetate 2.34
    1,2,4-trichlorobenzene 3.67
    4-methylpyridine 4.56
    dibutyl ether 1.81
    2,6-dimethyl-4-heptanol 2.14
    DEF 17.12
    dimethyl isosorbide 22.45
    tetrachloroethylene 10.21
    eugenol 13.1
    triacetin 7.24
    span 80 22.39
    1,4-butanediol 56.82
    1,1-dichloroethane 1.88
    2-methyl-1-pentanol 4.3
    methyl formate 53.1
    2-methyl-1-butanol 10.27
    n-decane 0.41
    butyronitrile 5.74
    3,7-dimethyl-1-octanol 2.99
    1-chlorooctane 1.13
    1-chlorotetradecane 0.59
    n-nonane 0.41
    undecane 0.33
    tert-butylcyclohexane 0.28
    cyclooctane 0.43
    cyclopentanol 37.24
    tetrahydropyran 8.86
    tert-amyl methyl ether 1.82
    2,5,8-trioxanonane 26.27
    1-hexene 0.66
    2-isopropoxyethanol 13.94
    2,2,2-trifluoroethanol 110.93
    methyl butyrate 5.0

    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