Lauryl alcohol diphosphonic acid

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  • Identifiers

    CAS number
    16610-63-2

    Molecular formula
    C12H28O7P2

    SMILES
    CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 50.47%
    Fatty 31.81%
    Waxy 28.94%
    Citrus 23.09%
    Oily 22.03%
    Fresh 21.47%
    Milky 20.86%
    Green 20.05%
    Savory 19.49%
    Clean 19.19%

     

    Flavor
    Odorless 50.23%
    Mild 34.66%
    Bland 31.32%
    Fatty 27.81%
    Waxy 27.11%
    Bay oil 21.18%
    Sweet-like 21.0%
    Cultured dairy 20.8%
    Slightly waxy 20.54%
    Faint 20.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.18 (neutral)

    Molecular weight
    346.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    613°C

    Flash point

    • 293.84 ˚C est.

  • Synonyms

    • Lauryl alcohol diphosphonic acid
    • 16610-63-2
    • Tensan AO
    • (1-Hydroxydodecylidene)diphosphonic acid
    • Phosphonic acid, p,p'-(1-hydroxydodecylidene)bis-
    • Phosphonic acid, (1-hydroxydodecylidene)bis-
    • S888WM4024
    • 1-Hydroxydodecane-1,1-diphosphonic acid
    • Phosphonic acid, (1-hydroxydodecylidene)di-
    • Lauryl alcohol diphosphonic acid [INCI]
    • DTXSID901021204
    • EC 425-230-2
    • RefChem:798589
    • DTXCID101506258
    • 425-230-2
    • (1-hydroxy-1-phosphonododecyl)phosphonic acid
    • bisphosphonate, 11
    • (1-Hydroxydodecane-1,1-Diyl)bis(Phosphonic Acid)
    • CHEMBL416301
    • UNII-S888WM4024
    • GTPL3191
    • SCHEMBL2373762
    • BDBM25285
    • MFCD02170346
    • DB07873
    • compound 11 [PMID: 18800762]
    • 1-hydroxy-1,1 -dodecanediphosphonic acid
    • 1-hydroxy-1,1-dodecane diphosphonic acid
    • NS00002393
    • P,P'-(1-Hydroxydodecylidene)diphosphonic acid
    • (1-hydroxy-1-phosphono-dodecyl)phosphonic acid
    • Q27076193
    • P,P inverted exclamation marka-(1-Hydroxydodecylidene)bis[phosphonic acid]
    • H23
    • 16610-63-2

  • Applications

    Lauryl alcohol diphosphonic acid (CAS number: 16610-63-2) is a phosphonate-containing surfactant with a lauryl tail. In practice, it is used as a chelating agent and scale inhibitor in water-treatment and cleaning formulations; as a dispersant and stabilizing additive in coatings and inks; as a processing aid or stabilizer in polymer formulations; as a corrosion-inhibiting component in metalworking fluids and surface-finishing formulations; and can serve as a precursor for specialty phosphonate additives or as a chelating component in some household cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.93
    methanol 62.25
    isopropanol 17.23
    water 4.38
    ethyl acetate 5.6
    n-propanol 19.88
    acetone 15.34
    n-butanol 15.21
    acetonitrile 3.0
    DMF 59.79
    toluene 3.91
    isobutanol 12.01
    1,4-dioxane 14.31
    methyl acetate 5.32
    THF 88.88
    2-butanone 10.32
    n-pentanol 13.39
    sec-butanol 13.77
    n-hexane 0.77
    ethylene glycol 30.17
    NMP 149.15
    cyclohexane 1.87
    DMSO 182.43
    n-butyl acetate 9.9
    n-octanol 8.46
    chloroform 8.19
    n-propyl acetate 5.22
    acetic acid 25.1
    dichloromethane 6.11
    cyclohexanone 30.13
    propylene glycol 48.86
    isopropyl acetate 7.57
    DMAc 60.67
    2-ethoxyethanol 39.35
    isopentanol 13.06
    n-heptane 1.24
    ethyl formate 6.99
    1,2-dichloroethane 7.29
    n-hexanol 21.48
    2-methoxyethanol 79.59
    isobutyl acetate 3.75
    tetrachloromethane 3.08
    n-pentyl acetate 10.19
    transcutol 41.57
    n-heptanol 15.89
    ethylbenzene 2.28
    MIBK 13.4
    2-propoxyethanol 63.22
    tert-butanol 24.86
    MTBE 6.47
    2-butoxyethanol 35.68
    propionic acid 17.01
    o-xylene 5.09
    formic acid 38.39
    diethyl ether 4.74
    m-xylene 5.74
    p-xylene 2.68
    chlorobenzene 3.44
    dimethyl carbonate 7.85
    n-octane 0.68
    formamide 53.3
    cyclopentanone 62.77
    2-pentanone 14.07
    anisole 4.99
    cyclopentyl methyl ether 25.06
    gamma-butyrolactone 55.59
    1-methoxy-2-propanol 65.36
    pyridine 10.69
    3-pentanone 8.37
    furfural 43.81
    n-dodecane 0.41
    diethylene glycol 67.07
    diisopropyl ether 3.24
    tert-amyl alcohol 20.13
    acetylacetone 23.14
    n-hexadecane 0.46
    acetophenone 11.79
    methyl propionate 8.75
    isopentyl acetate 10.22
    trichloroethylene 12.1
    n-nonanol 8.26
    cyclohexanol 19.66
    benzyl alcohol 12.39
    2-ethylhexanol 9.78
    isooctanol 11.39
    dipropyl ether 5.93
    1,2-dichlorobenzene 4.81
    ethyl lactate 12.58
    propylene carbonate 23.1
    n-methylformamide 32.04
    2-pentanol 11.24
    n-pentane 1.05
    1-propoxy-2-propanol 41.7
    1-methoxy-2-propyl acetate 22.38
    2-(2-methoxypropoxy) propanol 24.22
    mesitylene 4.97
    ε-caprolactone 25.75
    p-cymene 4.47
    epichlorohydrin 35.96
    1,1,1-trichloroethane 5.57
    2-aminoethanol 51.74
    morpholine-4-carbaldehyde 67.38
    sulfolane 188.82
    2,2,4-trimethylpentane 0.93
    2-methyltetrahydrofuran 27.35
    n-hexyl acetate 10.54
    isooctane 0.86
    2-(2-butoxyethoxy)ethanol 32.12
    sec-butyl acetate 4.46
    tert-butyl acetate 13.84
    decalin 1.06
    glycerin 89.8
    diglyme 39.75
    acrylic acid 19.46
    isopropyl myristate 4.46
    n-butyric acid 20.33
    acetyl acetate 5.36
    di(2-ethylhexyl) phthalate 8.44
    ethyl propionate 4.72
    nitromethane 22.87
    1,2-diethoxyethane 7.47
    benzonitrile 6.29
    trioctyl phosphate 7.56
    1-bromopropane 3.39
    gamma-valerolactone 70.2
    n-decanol 5.78
    triethyl phosphate 6.02
    4-methyl-2-pentanol 9.18
    propionitrile 3.81
    vinylene carbonate 14.36
    1,1,2-trichlorotrifluoroethane 59.65
    DMS 8.67
    cumene 2.42
    2-octanol 8.35
    2-hexanone 8.01
    octyl acetate 6.36
    limonene 6.76
    1,2-dimethoxyethane 24.32
    ethyl orthosilicate 5.91
    tributyl phosphate 6.22
    diacetone alcohol 40.36
    N,N-dimethylaniline 7.23
    acrylonitrile 5.83
    aniline 8.98
    1,3-propanediol 46.05
    bromobenzene 2.88
    dibromomethane 4.94
    1,1,2,2-tetrachloroethane 17.15
    2-methyl-cyclohexyl acetate 11.87
    tetrabutyl urea 10.86
    diisobutyl methanol 7.22
    2-phenylethanol 19.08
    styrene 2.01
    dioctyl adipate 7.44
    dimethyl sulfate 25.72
    ethyl butyrate 6.75
    methyl lactate 27.11
    butyl lactate 19.38
    diethyl carbonate 3.84
    propanediol butyl ether 35.81
    triethyl orthoformate 6.99
    p-tert-butyltoluene 5.38
    methyl 4-tert-butylbenzoate 24.37
    morpholine 28.49
    tert-butylamine 10.84
    n-dodecanol 3.95
    dimethoxymethane 32.94
    ethylene carbonate 11.58
    cyrene 47.28
    2-ethoxyethyl acetate 12.44
    2-ethylhexyl acetate 7.5
    1,2,4-trichlorobenzene 7.12
    4-methylpyridine 9.35
    dibutyl ether 2.87
    2,6-dimethyl-4-heptanol 7.22
    DEF 19.58
    dimethyl isosorbide 52.07
    tetrachloroethylene 13.11
    eugenol 23.8
    triacetin 13.18
    span 80 28.4
    1,4-butanediol 22.18
    1,1-dichloroethane 4.28
    2-methyl-1-pentanol 10.38
    methyl formate 17.68
    2-methyl-1-butanol 11.65
    n-decane 0.71
    butyronitrile 4.42
    3,7-dimethyl-1-octanol 8.22
    1-chlorooctane 2.6
    1-chlorotetradecane 1.06
    n-nonane 0.64
    undecane 0.52
    tert-butylcyclohexane 0.89
    cyclooctane 1.1
    cyclopentanol 37.51
    tetrahydropyran 12.61
    tert-amyl methyl ether 7.62
    2,5,8-trioxanonane 31.53
    1-hexene 1.82
    2-isopropoxyethanol 23.12
    2,2,2-trifluoroethanol 18.32
    methyl butyrate 6.85

    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