(2-Hydroxypropyl)ammonium dihydrogen orthoborate

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  • Identifiers

    CAS number
    68003-13-4

    Molecular formula
    C3H12BNO4

    SMILES
    B(O)(O)O.CC(CN)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 59.86%
    Alcoholic 21.22%
    Sweet 19.46%
    Fresh 19.04%
    Green 18.82%
    Clean 17.65%
    Sharp 15.95%
    Fishy 15.95%
    Ethereal 15.92%
    Pungent 15.67%

     

    Flavor
    Odorless 71.57%
    Pungent 32.97%
    Sour 26.87%
    Bitter 25.72%
    Vinegar 25.66%
    Sweet-like 22.28%
    Formyl 22.03%
    Rancid 21.53%
    Very slight 21.46%
    Soy 21.18%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    14.35 (strong base)

    Molecular weight
    136.95 g/mol

    Flash point

    • 100.63 ˚C est.

  • Synonyms

    • (2-Hydroxypropyl)ammonium dihydrogen orthoborate
    • 68003-13-4
    • Orthoboric acid isopropanolamine salt
    • YK5M7W95MC
    • EINECS 247-422-3
    • 1-Aminopropan-2-ol, compound with orthoboric acid
    • RefChem:395926
    • DTXSID0051364
    • 268-109-8
    • 26038-90-4
    • Boric acid, monoisopropanolamine salt
    • 1-aminopropan-2-ol;boric acid
    • 2-Hydroxypropylammonium orthoborate
    • Isopropanolamine borate
    • UNII-YK5M7W95MC
    • SCHEMBL3367876
    • DTXSID10892195
    • FWGLAJMZAXEFTA-UHFFFAOYSA-N
    • EINECS 268-109-8
    • Boric acid--1-aminopropan-2-ol (1/1)
    • Q27294561
    • 68003-13-4

  • Applications

    (2-Hydroxypropyl)ammonium dihydrogen orthoborate is a quaternary ammonium salt that is commonly used as a surfactant and emulsifier in cosmetics, personal care, and household formulations; it can function as a solvent or processing aid in industrial manufacturing, coatings, and inks; it may act as a plasticizer or stabilizer in polymers and plastics; it serves as an intermediate for organic synthesis; it can serve as a phase-transfer catalyst or catalyst component in chemical processes; and it can be evaluated as an ionic-liquid-like component to tune solubility and rheology of formulation systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.49
    methanol 400.35
    isopropanol 156.29
    water 989.42
    ethyl acetate 22.5
    n-propanol 116.29
    acetone 116.61
    n-butanol 79.23
    acetonitrile 50.5
    DMF 567.86
    toluene 3.87
    isobutanol 73.5
    1,4-dioxane 92.91
    methyl acetate 43.5
    THF 163.3
    2-butanone 44.27
    n-pentanol 60.21
    sec-butanol 74.35
    n-hexane 5.44
    ethylene glycol 358.01
    NMP 166.79
    cyclohexane 2.91
    DMSO 377.32
    n-butyl acetate 17.95
    n-octanol 25.52
    chloroform 6.6
    n-propyl acetate 26.27
    acetic acid 117.39
    dichloromethane 9.37
    cyclohexanone 29.04
    propylene glycol 272.03
    isopropyl acetate 17.22
    DMAc 259.06
    2-ethoxyethanol 184.25
    isopentanol 51.76
    n-heptane 4.63
    ethyl formate 49.79
    1,2-dichloroethane 10.66
    n-hexanol 39.34
    2-methoxyethanol 345.3
    isobutyl acetate 16.42
    tetrachloromethane 3.83
    n-pentyl acetate 17.91
    transcutol 108.41
    n-heptanol 30.15
    ethylbenzene 3.09
    MIBK 22.14
    2-propoxyethanol 144.46
    tert-butanol 139.29
    MTBE 36.83
    2-butoxyethanol 89.97
    propionic acid 79.88
    o-xylene 4.85
    formic acid 258.39
    diethyl ether 36.04
    m-xylene 4.31
    p-xylene 3.99
    chlorobenzene 2.42
    dimethyl carbonate 55.2
    n-octane 2.12
    formamide 270.51
    cyclopentanone 68.12
    2-pentanone 34.57
    anisole 16.02
    cyclopentyl methyl ether 37.2
    gamma-butyrolactone 84.51
    1-methoxy-2-propanol 233.89
    pyridine 23.81
    3-pentanone 22.48
    furfural 72.68
    n-dodecane 1.85
    diethylene glycol 207.39
    diisopropyl ether 11.46
    tert-amyl alcohol 67.41
    acetylacetone 34.15
    n-hexadecane 1.84
    acetophenone 15.76
    methyl propionate 39.6
    isopentyl acetate 13.39
    trichloroethylene 8.74
    n-nonanol 22.32
    cyclohexanol 31.51
    benzyl alcohol 24.29
    2-ethylhexanol 15.87
    isooctanol 20.42
    dipropyl ether 26.47
    1,2-dichlorobenzene 2.48
    ethyl lactate 47.6
    propylene carbonate 34.91
    n-methylformamide 260.79
    2-pentanol 46.39
    n-pentane 6.34
    1-propoxy-2-propanol 85.18
    1-methoxy-2-propyl acetate 29.82
    2-(2-methoxypropoxy) propanol 56.14
    mesitylene 3.9
    ε-caprolactone 31.24
    p-cymene 3.9
    epichlorohydrin 59.15
    1,1,1-trichloroethane 5.22
    2-aminoethanol 313.08
    morpholine-4-carbaldehyde 174.56
    sulfolane 106.32
    2,2,4-trimethylpentane 2.51
    2-methyltetrahydrofuran 52.06
    n-hexyl acetate 20.9
    isooctane 2.36
    2-(2-butoxyethoxy)ethanol 74.96
    sec-butyl acetate 13.53
    tert-butyl acetate 19.48
    decalin 1.62
    glycerin 391.49
    diglyme 129.99
    acrylic acid 88.73
    isopropyl myristate 9.98
    n-butyric acid 52.88
    acetyl acetate 13.58
    di(2-ethylhexyl) phthalate 13.23
    ethyl propionate 24.15
    nitromethane 142.46
    1,2-diethoxyethane 30.13
    benzonitrile 11.24
    trioctyl phosphate 13.62
    1-bromopropane 6.64
    gamma-valerolactone 107.25
    n-decanol 17.16
    triethyl phosphate 12.91
    4-methyl-2-pentanol 25.08
    propionitrile 32.69
    vinylene carbonate 31.31
    1,1,2-trichlorotrifluoroethane 70.61
    DMS 19.3
    cumene 3.65
    2-octanol 18.22
    2-hexanone 28.63
    octyl acetate 14.86
    limonene 4.95
    1,2-dimethoxyethane 194.57
    ethyl orthosilicate 12.83
    tributyl phosphate 13.56
    diacetone alcohol 52.27
    N,N-dimethylaniline 19.94
    acrylonitrile 46.6
    aniline 16.1
    1,3-propanediol 222.72
    bromobenzene 1.3
    dibromomethane 5.87
    1,1,2,2-tetrachloroethane 10.69
    2-methyl-cyclohexyl acetate 12.32
    tetrabutyl urea 22.95
    diisobutyl methanol 11.14
    2-phenylethanol 18.36
    styrene 3.14
    dioctyl adipate 16.03
    dimethyl sulfate 79.82
    ethyl butyrate 17.25
    methyl lactate 88.22
    butyl lactate 32.36
    diethyl carbonate 13.95
    propanediol butyl ether 90.83
    triethyl orthoformate 18.04
    p-tert-butyltoluene 4.42
    methyl 4-tert-butylbenzoate 26.86
    morpholine 120.97
    tert-butylamine 64.38
    n-dodecanol 13.05
    dimethoxymethane 215.15
    ethylene carbonate 29.23
    cyrene 56.34
    2-ethoxyethyl acetate 25.05
    2-ethylhexyl acetate 9.77
    1,2,4-trichlorobenzene 3.28
    4-methylpyridine 20.6
    dibutyl ether 13.63
    2,6-dimethyl-4-heptanol 11.14
    DEF 59.95
    dimethyl isosorbide 57.81
    tetrachloroethylene 8.98
    eugenol 41.34
    triacetin 24.46
    span 80 46.17
    1,4-butanediol 132.88
    1,1-dichloroethane 8.05
    2-methyl-1-pentanol 32.18
    methyl formate 174.84
    2-methyl-1-butanol 47.5
    n-decane 2.68
    butyronitrile 28.28
    3,7-dimethyl-1-octanol 15.01
    1-chlorooctane 5.49
    1-chlorotetradecane 3.04
    n-nonane 2.59
    undecane 2.14
    tert-butylcyclohexane 2.07
    cyclooctane 1.69
    cyclopentanol 65.85
    tetrahydropyran 40.81
    tert-amyl methyl ether 26.4
    2,5,8-trioxanonane 92.61
    1-hexene 10.12
    2-isopropoxyethanol 99.61
    2,2,2-trifluoroethanol 92.94
    methyl butyrate 32.1

    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