Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)

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  • Identifiers

    CAS number
    65140-91-2

    Molecular formula
    C34H56CaO8P2

    SMILES
    CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 50.47%
    Floral 48.41%
    Musk 41.37%
    Dry 39.83%
    Fruity 37.46%
    Fatty 32.73%
    Green 32.16%
    Amber 31.36%
    Powdery 30.18%
    Sweet 29.7%

     

    Flavor
    Mild 32.43%
    Woody 27.26%
    Odorless 24.28%
    Bland 24.0%
    Camphor 21.99%
    Musty 21.71%
    Green pepper 20.74%
    Bitter 20.53%
    Broom 20.23%
    Heather 20.13%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.91 (neutral)

    Molecular weight
    694.8 g/mol

    Flash point

    • 201.95 ˚C est.

  • Synonyms

    • calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)
    • EINECS 265-512-0
    • 9BO934602W
    • Ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate, calcium salt
    • DTXSID9044249
    • EC 265-512-0
    • Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, calcium salt (2:1)
    • Phosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, calcium salt (2:1)
    • calcium (3,5-di-tert-butyl-4-hydroxybenzyl monoethyl phosphonate)
    • calcium bis(monoethyl(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate)
    • Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1)
    • Calcium diethyl bis(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate)
    • calcium diethyl bis[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate]
    • Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1)
    • RefChem:573405
    • DTXCID7024249
    • Phosphonic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylmethyl-, monoethyl ester, calcium salt (2:1)
    • 65140-91-2
    • Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate]
    • calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate
    • Calcium ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate
    • UNII-9BO934602W
    • SCHEMBL150785
    • AKOS015914822
    • MSK157210-1000W
    • FC150093
    • NS00019619
    • D97189
    • Irganox 1425 Solution in Water, 1000ug/mL
    • Q27272323
    • Bis(3,5-di-tert-butyl-4-hydroxybenzyl-monoethyl-phosphonate) calcium
    • Calcium bis{ethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate}
    • 65140-91-2

  • Applications

    Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) (CAS 65140-91-2) is used in polymer and coating formulations as a stabilizer and antioxidant, providing thermal stability and radical scavenging in polyolefins and PVC, and contributing to UV and weathering resistance in protective coatings and inks. The phosphonate ester groups promote metal chelation, supporting processing stability and reducing metal-catalyzed degradation in metal-containing systems. It is also employed as a phosphorus-containing flame-retardant component within polymer and coating formulations, helping to enhance fire performance. Additionally, it may function as a processing aid or additive in adhesives and sealants, and as a corrosion-inhibition/metal-chelation additive in protective coatings and industrial formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 223.19
    methanol 218.36
    isopropanol 190.54
    water 0.86
    ethyl acetate 190.78
    n-propanol 233.06
    acetone 307.82
    n-butanol 208.82
    acetonitrile 158.77
    DMF 693.3
    toluene 156.12
    isobutanol 167.03
    1,4-dioxane 259.76
    methyl acetate 205.22
    THF 549.28
    2-butanone 294.25
    n-pentanol 176.72
    sec-butanol 221.91
    n-hexane 37.96
    ethylene glycol 63.62
    NMP 632.44
    cyclohexane 49.46
    DMSO 494.92
    n-butyl acetate 172.15
    n-octanol 119.97
    chloroform 801.41
    n-propyl acetate 151.79
    acetic acid 202.68
    dichloromethane 556.55
    cyclohexanone 399.88
    propylene glycol 156.82
    isopropyl acetate 133.23
    DMAc 495.21
    2-ethoxyethanol 207.57
    isopentanol 149.59
    n-heptane 24.07
    ethyl formate 160.97
    1,2-dichloroethane 361.98
    n-hexanol 212.53
    2-methoxyethanol 302.28
    isobutyl acetate 100.3
    tetrachloromethane 109.18
    n-pentyl acetate 154.13
    transcutol 326.09
    n-heptanol 126.25
    ethylbenzene 89.23
    MIBK 146.23
    2-propoxyethanol 288.47
    tert-butanol 200.05
    MTBE 152.01
    2-butoxyethanol 184.31
    propionic acid 203.46
    o-xylene 104.63
    formic acid 110.63
    diethyl ether 187.77
    m-xylene 110.42
    p-xylene 103.82
    chlorobenzene 238.63
    dimethyl carbonate 144.96
    n-octane 11.46
    formamide 154.84
    cyclopentanone 514.13
    2-pentanone 245.39
    anisole 170.33
    cyclopentyl methyl ether 278.25
    gamma-butyrolactone 505.74
    1-methoxy-2-propanol 308.66
    pyridine 304.25
    3-pentanone 207.68
    furfural 423.86
    n-dodecane 7.68
    diethylene glycol 183.4
    diisopropyl ether 64.95
    tert-amyl alcohol 202.01
    acetylacetone 248.57
    n-hexadecane 8.61
    acetophenone 183.65
    methyl propionate 214.41
    isopentyl acetate 145.78
    trichloroethylene 740.12
    n-nonanol 105.4
    cyclohexanol 210.5
    benzyl alcohol 166.46
    2-ethylhexanol 117.47
    isooctanol 98.24
    dipropyl ether 109.86
    1,2-dichlorobenzene 227.03
    ethyl lactate 127.48
    propylene carbonate 322.93
    n-methylformamide 296.33
    2-pentanol 162.39
    n-pentane 41.48
    1-propoxy-2-propanol 210.38
    1-methoxy-2-propyl acetate 201.97
    2-(2-methoxypropoxy) propanol 164.22
    mesitylene 64.75
    ε-caprolactone 348.0
    p-cymene 59.92
    epichlorohydrin 499.54
    1,1,1-trichloroethane 350.28
    2-aminoethanol 145.88
    morpholine-4-carbaldehyde 431.53
    sulfolane 677.43
    2,2,4-trimethylpentane 20.59
    2-methyltetrahydrofuran 350.47
    n-hexyl acetate 196.11
    isooctane 13.52
    2-(2-butoxyethoxy)ethanol 187.62
    sec-butyl acetate 101.67
    tert-butyl acetate 149.77
    decalin 23.77
    glycerin 183.68
    diglyme 297.83
    acrylic acid 195.87
    isopropyl myristate 70.96
    n-butyric acid 235.77
    acetyl acetate 142.42
    di(2-ethylhexyl) phthalate 91.8
    ethyl propionate 143.2
    nitromethane 354.6
    1,2-diethoxyethane 119.46
    benzonitrile 177.62
    trioctyl phosphate 73.4
    1-bromopropane 236.73
    gamma-valerolactone 546.9
    n-decanol 75.38
    triethyl phosphate 83.98
    4-methyl-2-pentanol 95.38
    propionitrile 159.44
    vinylene carbonate 279.02
    1,1,2-trichlorotrifluoroethane 444.59
    DMS 166.08
    cumene 62.68
    2-octanol 92.8
    2-hexanone 182.79
    octyl acetate 103.54
    limonene 84.03
    1,2-dimethoxyethane 270.58
    ethyl orthosilicate 79.33
    tributyl phosphate 77.99
    diacetone alcohol 216.35
    N,N-dimethylaniline 145.95
    acrylonitrile 200.77
    aniline 192.49
    1,3-propanediol 166.54
    bromobenzene 226.93
    dibromomethane 427.78
    1,1,2,2-tetrachloroethane 636.06
    2-methyl-cyclohexyl acetate 140.71
    tetrabutyl urea 110.38
    diisobutyl methanol 63.33
    2-phenylethanol 181.97
    styrene 103.36
    dioctyl adipate 111.45
    dimethyl sulfate 272.44
    ethyl butyrate 126.01
    methyl lactate 175.25
    butyl lactate 149.55
    diethyl carbonate 93.29
    propanediol butyl ether 215.07
    triethyl orthoformate 98.51
    p-tert-butyltoluene 63.06
    methyl 4-tert-butylbenzoate 182.91
    morpholine 366.57
    tert-butylamine 130.39
    n-dodecanol 54.0
    dimethoxymethane 332.11
    ethylene carbonate 230.58
    cyrene 224.4
    2-ethoxyethyl acetate 181.24
    2-ethylhexyl acetate 126.47
    1,2,4-trichlorobenzene 271.53
    4-methylpyridine 326.35
    dibutyl ether 78.66
    2,6-dimethyl-4-heptanol 63.33
    DEF 253.93
    dimethyl isosorbide 266.12
    tetrachloroethylene 351.43
    eugenol 168.17
    triacetin 188.92
    span 80 171.71
    1,4-butanediol 99.52
    1,1-dichloroethane 359.71
    2-methyl-1-pentanol 140.93
    methyl formate 221.28
    2-methyl-1-butanol 173.09
    n-decane 15.17
    butyronitrile 167.47
    3,7-dimethyl-1-octanol 92.92
    1-chlorooctane 73.02
    1-chlorotetradecane 24.74
    n-nonane 14.92
    undecane 10.38
    tert-butylcyclohexane 21.72
    cyclooctane 18.78
    cyclopentanol 238.28
    tetrahydropyran 313.68
    tert-amyl methyl ether 148.24
    2,5,8-trioxanonane 196.33
    1-hexene 104.57
    2-isopropoxyethanol 154.92
    2,2,2-trifluoroethanol 123.39
    methyl butyrate 181.2

    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