Aminopropyl dihydrogen phosphate

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  • Identifiers

    CAS number
    1071-28-9

    Molecular formula
    C3H10NO4P

    SMILES
    C(CN)COP(=O)(O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.88%
    Savory 23.63%
    Meaty 20.93%
    Sulfurous 19.42%
    Fishy 19.34%
    Alcoholic 18.45%
    Fresh 18.22%
    Cheesy 18.1%
    Cooling 16.71%
    Sweet 15.82%

     

    Flavor
    Odorless 65.87%
    Sour 31.66%
    Mild 29.83%
    Acidic 25.93%
    Bland 24.23%
    Yeast 23.05%
    Faint 22.37%
    Sweet-like 22.13%
    Sulfury 22.09%
    Rancid 21.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.4

    pKa est.
    7.96 (neutral)

    Molecular weight
    155.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 174.75 ˚C est.

  • Synonyms

    • 3-Aminopropyl dihydrogen phosphate
    • 3-Aminopropyl monophosphate
    • aminopropyl dihydrogen phosphate
    • UNII-D5J0Q2CM4V
    • D5J0Q2CM4V
    • BRN 1763687
    • 3-Amino-1-propanol dihydrogen phosphate (ester)
    • 1-Propanol, 3-amino-, dihydrogen phosphate (ester)
    • DTXSID10147910
    • 4-04-00-01628 (Beilstein Handbook Reference)
    • 1-PROPANOL, 3-AMINO-, 1-(DIHYDROGEN PHOSPHATE)
    • RefChem:112064
    • DTXCID4070401
    • AMINOPROPYL DIHYDROGEN PHOSPHATE [INCI]
    • 1071-28-9
    • (3-aminopropoxy)phosphonic acid
    • 1-Propanol, 3-amino-,1-(dihydrogen phosphate)
    • C3H10NO4P
    • 1-Propanol, 3-amino-, 1-(dihydrogen phosphate); 1-Propanol, 3-amino-, dihydrogen phosphate (ester) (6CI,7CI,8CI,9CI); 3-Aminopropyl dihydrogen phosphate; 3-Aminopropyl monophosphate; Cyclophosphamide Related Compound C
    • Cyclophosphamide Impurity F
    • Tipranavir ?-D-Glucuronide
    • Cyclophosphamide USP Rc C
    • SCHEMBL29396
    • CHEMBL85388
    • 3-amino propyl phosphoric acid
    • Cyclophosphamide EP Impurity F
    • 3-Aminopropyldihydrogenphosphate
    • SCHEMBL3723121
    • BAA07128
    • MFCD01757086
    • AKOS006279335
    • EBC-170037
    • USP Cyclophosphamide Related Compound C
    • DB-229795
    • CS-0249211
    • NS00122988
    • G76552
    • EN300-4278460
    • Q27092900
    • Z1198158583
    • 1071-28-9

  • Applications

    Aminopropyl dihydrogen phosphate (CAS 1071-28-9) may be used as a reactive intermediate to introduce phosphate and amino functionalities into polymers, serving as a monomer or crosslinker in phosphate-containing materials; in coatings, inks, and adhesives, it may act as a functional additive that improves adhesion, curing efficiency, and substrate compatibility through its phosphate and amine groups; it may be a precursor to phosphate-containing monomers used in flame-retardant polymers and coatings; in industrial processing and cleaning, it may function as a chelating or buffering agent for metal ions and processing streams.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.55
    methanol 6.4
    isopropanol 1.65
    water 95.23
    ethyl acetate 0.45
    n-propanol 1.66
    acetone 1.9
    n-butanol 1.56
    acetonitrile 0.62
    DMF 19.63
    toluene 0.48
    isobutanol 1.11
    1,4-dioxane 2.98
    methyl acetate 0.39
    THF 6.1
    2-butanone 0.62
    n-pentanol 1.1
    sec-butanol 1.07
    n-hexane 0.26
    ethylene glycol 25.27
    NMP 43.24
    cyclohexane 0.76
    DMSO 41.15
    n-butyl acetate 0.98
    n-octanol 0.81
    chloroform 0.13
    n-propyl acetate 0.44
    acetic acid 9.46
    dichloromethane 0.24
    cyclohexanone 3.73
    propylene glycol 15.56
    isopropyl acetate 0.57
    DMAc 15.06
    2-ethoxyethanol 6.93
    isopentanol 1.33
    n-heptane 0.64
    ethyl formate 1.25
    1,2-dichloroethane 0.38
    n-hexanol 2.31
    2-methoxyethanol 17.36
    isobutyl acetate 0.31
    tetrachloromethane 0.13
    n-pentyl acetate 0.83
    transcutol 5.63
    n-heptanol 1.92
    ethylbenzene 0.3
    MIBK 1.0
    2-propoxyethanol 10.53
    tert-butanol 2.33
    MTBE 0.46
    2-butoxyethanol 6.72
    propionic acid 2.82
    o-xylene 0.97
    formic acid 39.88
    diethyl ether 0.49
    m-xylene 0.69
    p-xylene 0.43
    chlorobenzene 0.26
    dimethyl carbonate 1.28
    n-octane 0.23
    formamide 30.37
    cyclopentanone 5.75
    2-pentanone 0.98
    anisole 0.56
    cyclopentyl methyl ether 2.27
    gamma-butyrolactone 6.94
    1-methoxy-2-propanol 10.38
    pyridine 1.62
    3-pentanone 0.78
    furfural 10.51
    n-dodecane 0.12
    diethylene glycol 24.23
    diisopropyl ether 0.37
    tert-amyl alcohol 1.45
    acetylacetone 2.38
    n-hexadecane 0.13
    acetophenone 1.3
    methyl propionate 0.85
    isopentyl acetate 0.92
    trichloroethylene 0.31
    n-nonanol 0.84
    cyclohexanol 2.57
    benzyl alcohol 1.63
    2-ethylhexanol 1.18
    isooctanol 1.3
    dipropyl ether 1.16
    1,2-dichlorobenzene 0.4
    ethyl lactate 2.29
    propylene carbonate 3.03
    n-methylformamide 7.8
    2-pentanol 1.02
    n-pentane 0.31
    1-propoxy-2-propanol 5.93
    1-methoxy-2-propyl acetate 2.39
    2-(2-methoxypropoxy) propanol 4.83
    mesitylene 0.8
    ε-caprolactone 3.39
    p-cymene 0.78
    epichlorohydrin 2.26
    1,1,1-trichloroethane 0.13
    2-aminoethanol 19.61
    morpholine-4-carbaldehyde 24.37
    sulfolane 29.19
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 1.9
    n-hexyl acetate 0.79
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 6.08
    sec-butyl acetate 0.33
    tert-butyl acetate 0.93
    decalin 0.23
    glycerin 58.47
    diglyme 8.13
    acrylic acid 5.73
    isopropyl myristate 0.46
    n-butyric acid 2.83
    acetyl acetate 0.65
    di(2-ethylhexyl) phthalate 1.4
    ethyl propionate 0.48
    nitromethane 5.81
    1,2-diethoxyethane 0.89
    benzonitrile 0.94
    trioctyl phosphate 1.15
    1-bromopropane 0.18
    gamma-valerolactone 12.45
    n-decanol 0.72
    triethyl phosphate 1.09
    4-methyl-2-pentanol 0.84
    propionitrile 0.44
    vinylene carbonate 2.45
    1,1,2-trichlorotrifluoroethane 8.57
    DMS 0.81
    cumene 0.38
    2-octanol 0.84
    2-hexanone 0.58
    octyl acetate 0.68
    limonene 0.97
    1,2-dimethoxyethane 4.61
    ethyl orthosilicate 1.01
    tributyl phosphate 0.89
    diacetone alcohol 4.17
    N,N-dimethylaniline 1.24
    acrylonitrile 0.9
    aniline 1.29
    1,3-propanediol 11.13
    bromobenzene 0.18
    dibromomethane 0.19
    1,1,2,2-tetrachloroethane 0.53
    2-methyl-cyclohexyl acetate 1.26
    tetrabutyl urea 1.94
    diisobutyl methanol 1.08
    2-phenylethanol 2.43
    styrene 0.24
    dioctyl adipate 0.89
    dimethyl sulfate 4.71
    ethyl butyrate 0.96
    methyl lactate 5.83
    butyl lactate 2.55
    diethyl carbonate 0.66
    propanediol butyl ether 6.71
    triethyl orthoformate 1.13
    p-tert-butyltoluene 0.79
    methyl 4-tert-butylbenzoate 3.59
    morpholine 4.0
    tert-butylamine 1.13
    n-dodecanol 0.6
    dimethoxymethane 5.35
    ethylene carbonate 1.95
    cyrene 13.13
    2-ethoxyethyl acetate 1.08
    2-ethylhexyl acetate 0.74
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 1.29
    dibutyl ether 0.38
    2,6-dimethyl-4-heptanol 1.08
    DEF 3.44
    dimethyl isosorbide 8.77
    tetrachloroethylene 0.56
    eugenol 4.99
    triacetin 1.63
    span 80 5.58
    1,4-butanediol 6.46
    1,1-dichloroethane 0.13
    2-methyl-1-pentanol 0.83
    methyl formate 4.79
    2-methyl-1-butanol 1.06
    n-decane 0.17
    butyronitrile 0.58
    3,7-dimethyl-1-octanol 0.7
    1-chlorooctane 0.24
    1-chlorotetradecane 0.16
    n-nonane 0.18
    undecane 0.14
    tert-butylcyclohexane 0.14
    cyclooctane 0.49
    cyclopentanol 4.07
    tetrahydropyran 1.3
    tert-amyl methyl ether 0.59
    2,5,8-trioxanonane 8.17
    1-hexene 0.27
    2-isopropoxyethanol 3.34
    2,2,2-trifluoroethanol 6.32
    methyl butyrate 0.79

    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