2-Amino-2-ethyl-1,3-propanediol

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  • Identifiers

    CAS number
    115-70-8

    Molecular formula
    C5H13NO2

    SMILES
    CCC(CO)(CO)N

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 48.02%
    Odorless 47.76%
    Sweet 34.5%
    Alcoholic 30.54%
    Ripe 23.12%
    Cooling 22.88%
    Cheesy 22.75%
    Oily 20.91%
    Mint 20.7%
    Malty 16.84%

     

    Flavor
    Odorless 46.3%
    Sweet 35.25%
    Sulfurous 28.46%
    Sweet-like 24.09%
    Mild 22.6%
    Bitter 20.98%
    Very slight 20.67%
    Meat broth 19.69%
    Bouillon 19.27%
    Catty 19.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    6.39 (neutral)

    Molecular weight
    119.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    265°C

    Flash point

    • 128.38 ˚C est.

  • Synonyms

    • 115-70-8
    • 2-AMINO-2-ETHYL-1,3-PROPANEDIOL
    • 1,3-Propanediol, 2-amino-2-ethyl-
    • Aminoethyl propanediol
    • 2-Amino-2-ethylpropanediol
    • NSC 8803
    • EINECS 204-101-2
    • AEPD-85
    • UNII-0ADF1987D4
    • 2-Amino-1,3-dihydroxy-2-ethylpropane
    • DTXSID3029150
    • AI3-03358
    • 0ADF1987D4
    • NSC-8803
    • DTXCID609150
    • EC 204-101-2
    • 2-AMINO-2-ETHYL-1,3-PROPANEDIOL [MI]
    • RefChem:85080
    • AMINOETHYL PROPANEDIOL [INCI]
    • InChI=1/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H
    • IOAOAKDONABGPZ-UHFFFAOYSA-N
    • 2-amino-2-ethylpropane-1,3-diol
    • AEPD
    • 2-Ethyl-2-aminopropanediol
    • MFCD00004680
    • 2-Amino-2-ethyl-propane-1,3-diol
    • 1,3-Propanediol,2-amino-2-ethyl-
    • 1, 2-amino-2-ethyl-
    • SCHEMBL45629
    • CHEMBL119482
    • SCHEMBL1564373
    • SCHEMBL1663649
    • SCHEMBL15163204
    • NSC8803
    • BB_SC-07123
    • Tox21_200845
    • BBL027474
    • STL372708
    • AKOS000120518
    • NCGC00248849-01
    • NCGC00258399-01
    • CAS-115-70-8
    • SY036815
    • VS-08546
    • A0620
    • butane, 2-amino-1-hydroxy-2-hydroxymethyl-
    • CS-0089934
    • NS00001265
    • D71113
    • 2-amino-2-ethyl-;2-amino-2-ethyl-3-propanediol
    • 2-AMINO-2-ETHYL-1,3-PROPANEDIOL, TECH.
    • F243032
    • Q27236537
    • 115-70-8

  • Applications

    2-Amino-2-ethyl-1,3-propanediol (CAS 115-70-8) is a multifunctional building block used in polymer and specialty-chemical synthesis; in practice it serves as a reactive intermediate for polyurethane polyols and epoxy resin hardeners, and as a crosslinking agent in coatings, adhesives, and inks; it also functions as a precursor for specialty surfactants and functional polymers; and is evaluated as a versatile intermediate for the synthesis of other specialty chemicals, including pharmaceutical intermediates under appropriate regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.42
    methanol 39.17
    isopropanol 2.4
    water 264.38
    ethyl acetate 1.17
    n-propanol 7.7
    acetone 0.54
    n-butanol 5.45
    acetonitrile 1.07
    DMF 3.76
    toluene 0.16
    isobutanol 4.69
    1,4-dioxane 3.83
    methyl acetate 1.18
    THF 5.77
    2-butanone 1.26
    n-pentanol 1.84
    sec-butanol 3.91
    n-hexane 0.14
    ethylene glycol 53.19
    NMP 33.0
    cyclohexane 0.43
    DMSO 26.46
    n-butyl acetate 1.31
    n-octanol 1.4
    chloroform 1.05
    n-propyl acetate 0.71
    acetic acid 74.6
    dichloromethane 0.84
    cyclohexanone 4.3
    propylene glycol 26.33
    isopropyl acetate 0.81
    DMAc 9.81
    2-ethoxyethanol 11.87
    isopentanol 3.3
    n-heptane 0.48
    ethyl formate 2.46
    1,2-dichloroethane 0.59
    n-hexanol 3.29
    2-methoxyethanol 28.44
    isobutyl acetate 0.52
    tetrachloromethane 1.07
    n-pentyl acetate 1.2
    transcutol 22.71
    n-heptanol 3.16
    ethylbenzene 0.16
    MIBK 1.04
    2-propoxyethanol 11.71
    tert-butanol 3.03
    MTBE 0.81
    2-butoxyethanol 9.25
    propionic acid 20.26
    o-xylene 0.43
    formic acid 302.75
    diethyl ether 0.7
    m-xylene 0.33
    p-xylene 0.26
    chlorobenzene 0.35
    dimethyl carbonate 0.77
    n-octane 0.2
    formamide 127.45
    cyclopentanone 5.55
    2-pentanone 1.04
    anisole 0.45
    cyclopentyl methyl ether 2.51
    gamma-butyrolactone 11.29
    1-methoxy-2-propanol 9.54
    pyridine 1.77
    3-pentanone 1.11
    furfural 13.93
    n-dodecane 0.1
    diethylene glycol 27.72
    diisopropyl ether 0.38
    tert-amyl alcohol 5.14
    acetylacetone 1.67
    n-hexadecane 0.1
    acetophenone 1.06
    methyl propionate 1.54
    isopentyl acetate 1.45
    trichloroethylene 1.3
    n-nonanol 1.36
    cyclohexanol 5.35
    benzyl alcohol 1.52
    2-ethylhexanol 2.21
    isooctanol 2.6
    dipropyl ether 1.1
    1,2-dichlorobenzene 0.59
    ethyl lactate 2.56
    propylene carbonate 5.44
    n-methylformamide 11.55
    2-pentanol 2.03
    n-pentane 0.21
    1-propoxy-2-propanol 6.76
    1-methoxy-2-propyl acetate 2.72
    2-(2-methoxypropoxy) propanol 7.01
    mesitylene 0.42
    ε-caprolactone 6.46
    p-cymene 0.66
    epichlorohydrin 3.74
    1,1,1-trichloroethane 0.56
    2-aminoethanol 50.49
    morpholine-4-carbaldehyde 19.77
    sulfolane 35.02
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 3.87
    n-hexyl acetate 1.39
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 10.65
    sec-butyl acetate 0.55
    tert-butyl acetate 1.45
    decalin 0.2
    glycerin 83.4
    diglyme 13.95
    acrylic acid 26.67
    isopropyl myristate 0.62
    n-butyric acid 14.03
    acetyl acetate 1.35
    di(2-ethylhexyl) phthalate 1.89
    ethyl propionate 0.74
    nitromethane 15.09
    1,2-diethoxyethane 1.35
    benzonitrile 0.84
    trioctyl phosphate 1.56
    1-bromopropane 0.34
    gamma-valerolactone 14.24
    n-decanol 0.97
    triethyl phosphate 1.63
    4-methyl-2-pentanol 1.5
    propionitrile 1.03
    vinylene carbonate 4.14
    1,1,2-trichlorotrifluoroethane 23.43
    DMS 1.3
    cumene 0.29
    2-octanol 1.31
    2-hexanone 0.59
    octyl acetate 0.92
    limonene 1.06
    1,2-dimethoxyethane 3.97
    ethyl orthosilicate 1.72
    tributyl phosphate 1.52
    diacetone alcohol 5.47
    N,N-dimethylaniline 0.68
    acrylonitrile 1.51
    aniline 1.4
    1,3-propanediol 40.63
    bromobenzene 0.23
    dibromomethane 0.61
    1,1,2,2-tetrachloroethane 1.53
    2-methyl-cyclohexyl acetate 1.81
    tetrabutyl urea 1.86
    diisobutyl methanol 1.6
    2-phenylethanol 2.25
    styrene 0.14
    dioctyl adipate 1.24
    dimethyl sulfate 3.38
    ethyl butyrate 1.45
    methyl lactate 5.68
    butyl lactate 3.7
    diethyl carbonate 0.89
    propanediol butyl ether 9.83
    triethyl orthoformate 1.76
    p-tert-butyltoluene 0.68
    methyl 4-tert-butylbenzoate 3.9
    morpholine 6.98
    tert-butylamine 1.42
    n-dodecanol 0.72
    dimethoxymethane 1.87
    ethylene carbonate 3.08
    cyrene 13.31
    2-ethoxyethyl acetate 2.0
    2-ethylhexyl acetate 1.12
    1,2,4-trichlorobenzene 0.97
    4-methylpyridine 0.88
    dibutyl ether 0.58
    2,6-dimethyl-4-heptanol 1.6
    DEF 2.9
    dimethyl isosorbide 11.63
    tetrachloroethylene 2.67
    eugenol 4.93
    triacetin 2.95
    span 80 8.72
    1,4-butanediol 11.88
    1,1-dichloroethane 0.29
    2-methyl-1-pentanol 1.91
    methyl formate 5.4
    2-methyl-1-butanol 4.86
    n-decane 0.16
    butyronitrile 1.06
    3,7-dimethyl-1-octanol 1.46
    1-chlorooctane 0.33
    1-chlorotetradecane 0.17
    n-nonane 0.16
    undecane 0.12
    tert-butylcyclohexane 0.18
    cyclooctane 0.26
    cyclopentanol 9.01
    tetrahydropyran 1.82
    tert-amyl methyl ether 1.26
    2,5,8-trioxanonane 12.32
    1-hexene 0.2
    2-isopropoxyethanol 5.08
    2,2,2-trifluoroethanol 45.16
    methyl butyrate 1.18

    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