Calcium Behenate

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  • Identifiers

    CAS number
    3578-72-1

    Molecular formula
    C44H86CaO4

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 79.51%
    Fatty 65.1%
    Oily 39.08%
    Odorless 34.61%
    Creamy 21.13%
    Savory 19.25%
    Fishy 18.7%
    Meaty 18.07%
    Dairy 17.91%
    Animal 17.04%

     

    Flavor
    Waxy 46.48%
    Fatty 40.33%
    Mild 35.51%
    Bland 33.77%
    Faint 30.19%
    Fat 28.87%
    Odorless 26.83%
    Slightly waxy 25.26%
    Oily 24.45%
    Alkane 23.26%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.58 (weak acid)

    Molecular weight
    719.2 g/mol

    Flash point

    • 201.12 ˚C est.

  • Synonyms

    • Calcium behenate
    • Docosanoic acid, calcium salt
    • Calcium didocosanoate
    • Calcium docosanoate
    • Docosanoic acid, calcium salt (2:1)
    • UNII-J5VFA9V6YG
    • J5VFA9V6YG
    • EINECS 222-700-7
    • DTXSID8063090
    • EC 700H
    • RefChem:122764
    • CALCIUM BEHENATE [INCI]
    • DTXCID7039092
    • 3578-72-1
    • calcium;docosanoate
    • SCHEMBL93398
    • NS00082310
    • Q27281235
    • 3578-72-1

  • Applications

    Calcium Behenate (CAS 3578-72-1) is a long-chain fatty acid salt that is commonly used as a soap-like thickener and stabilizer in industrial lubricants and greases, providing rheology control and improved lubricity. It also serves as a processing aid and rheology modifier in polymer and plastics formulations, helping to tune melt flow, dispersion, and film formation in materials such as PVC and wax blends. In cosmetics and personal care, it acts as a thickener and texture enhancer in creams, lotions, and solid sticks, contributing slip and conditioning properties. In coatings, inks, and adhesives, it can function as a slip additive and processing aid to improve handling and application. In cleaning formulations, it may be employed as a conditioning or thickening additive under appropriate formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.55
    methanol 4.63
    isopropanol 4.75
    water 0.01
    ethyl acetate 36.22
    n-propanol 5.63
    acetone 20.27
    n-butanol 7.23
    acetonitrile 7.04
    DMF 55.4
    toluene 16.83
    isobutanol 6.47
    1,4-dioxane 47.68
    methyl acetate 22.97
    THF 194.66
    2-butanone 33.49
    n-pentanol 8.86
    sec-butanol 7.81
    n-hexane 5.84
    ethylene glycol 0.6
    NMP 230.38
    cyclohexane 25.33
    DMSO 84.33
    n-butyl acetate 71.61
    n-octanol 20.85
    chloroform 137.26
    n-propyl acetate 66.74
    acetic acid 12.31
    dichloromethane 142.38
    cyclohexanone 156.03
    propylene glycol 2.09
    isopropyl acetate 49.85
    DMAc 126.61
    2-ethoxyethanol 24.81
    isopentanol 13.01
    n-heptane 8.41
    ethyl formate 17.14
    1,2-dichloroethane 95.42
    n-hexanol 11.76
    2-methoxyethanol 21.42
    isobutyl acetate 51.64
    tetrachloromethane 37.1
    n-pentyl acetate 126.71
    transcutol 239.74
    n-heptanol 16.7
    ethylbenzene 19.95
    MIBK 54.69
    2-propoxyethanol 35.53
    tert-butanol 16.63
    MTBE 33.18
    2-butoxyethanol 51.48
    propionic acid 13.57
    o-xylene 22.06
    formic acid 2.59
    diethyl ether 18.45
    m-xylene 18.89
    p-xylene 29.41
    chlorobenzene 41.86
    dimethyl carbonate 12.79
    n-octane 5.18
    formamide 5.93
    cyclopentanone 176.63
    2-pentanone 39.41
    anisole 46.83
    cyclopentyl methyl ether 91.21
    gamma-butyrolactone 154.2
    1-methoxy-2-propanol 30.54
    pyridine 57.03
    3-pentanone 36.07
    furfural 117.39
    n-dodecane 3.08
    diethylene glycol 12.04
    diisopropyl ether 18.28
    tert-amyl alcohol 21.08
    acetylacetone 73.37
    n-hexadecane 3.82
    acetophenone 74.35
    methyl propionate 28.98
    isopentyl acetate 84.42
    trichloroethylene 179.22
    n-nonanol 23.47
    cyclohexanol 26.68
    benzyl alcohol 22.3
    2-ethylhexanol 20.54
    isooctanol 21.9
    dipropyl ether 49.81
    1,2-dichlorobenzene 74.82
    ethyl lactate 29.33
    propylene carbonate 97.66
    n-methylformamide 13.62
    2-pentanol 8.61
    n-pentane 2.82
    1-propoxy-2-propanol 50.73
    1-methoxy-2-propyl acetate 85.77
    2-(2-methoxypropoxy) propanol 76.2
    mesitylene 20.19
    ε-caprolactone 148.36
    p-cymene 25.12
    epichlorohydrin 153.42
    1,1,1-trichloroethane 122.51
    2-aminoethanol 2.51
    morpholine-4-carbaldehyde 125.73
    sulfolane 372.86
    2,2,4-trimethylpentane 6.07
    2-methyltetrahydrofuran 121.08
    n-hexyl acetate 115.32
    isooctane 4.14
    2-(2-butoxyethoxy)ethanol 89.13
    sec-butyl acetate 61.22
    tert-butyl acetate 99.27
    decalin 15.03
    glycerin 5.26
    diglyme 212.15
    acrylic acid 10.08
    isopropyl myristate 45.94
    n-butyric acid 33.26
    acetyl acetate 35.54
    di(2-ethylhexyl) phthalate 34.84
    ethyl propionate 59.08
    nitromethane 35.89
    1,2-diethoxyethane 101.81
    benzonitrile 32.65
    trioctyl phosphate 25.87
    1-bromopropane 46.93
    gamma-valerolactone 217.4
    n-decanol 15.22
    triethyl phosphate 64.34
    4-methyl-2-pentanol 11.39
    propionitrile 10.62
    vinylene carbonate 64.19
    1,1,2-trichlorotrifluoroethane 106.93
    DMS 59.0
    cumene 19.89
    2-octanol 18.71
    2-hexanone 56.36
    octyl acetate 50.74
    limonene 44.75
    1,2-dimethoxyethane 93.12
    ethyl orthosilicate 63.81
    tributyl phosphate 36.57
    diacetone alcohol 80.84
    N,N-dimethylaniline 43.34
    acrylonitrile 11.41
    aniline 17.64
    1,3-propanediol 5.6
    bromobenzene 57.97
    dibromomethane 88.8
    1,1,2,2-tetrachloroethane 201.14
    2-methyl-cyclohexyl acetate 100.71
    tetrabutyl urea 63.68
    diisobutyl methanol 23.52
    2-phenylethanol 24.86
    styrene 21.59
    dioctyl adipate 83.65
    dimethyl sulfate 48.2
    ethyl butyrate 89.57
    methyl lactate 18.33
    butyl lactate 74.53
    diethyl carbonate 51.45
    propanediol butyl ether 41.86
    triethyl orthoformate 87.96
    p-tert-butyltoluene 25.87
    methyl 4-tert-butylbenzoate 115.25
    morpholine 65.79
    tert-butylamine 12.45
    n-dodecanol 10.74
    dimethoxymethane 32.31
    ethylene carbonate 57.16
    cyrene 83.31
    2-ethoxyethyl acetate 119.01
    2-ethylhexyl acetate 77.15
    1,2,4-trichlorobenzene 91.57
    4-methylpyridine 55.79
    dibutyl ether 69.28
    2,6-dimethyl-4-heptanol 23.52
    DEF 64.29
    dimethyl isosorbide 216.49
    tetrachloroethylene 109.94
    eugenol 80.88
    triacetin 148.22
    span 80 69.58
    1,4-butanediol 3.05
    1,1-dichloroethane 64.19
    2-methyl-1-pentanol 15.02
    methyl formate 10.33
    2-methyl-1-butanol 11.13
    n-decane 7.21
    butyronitrile 14.14
    3,7-dimethyl-1-octanol 29.03
    1-chlorooctane 34.68
    1-chlorotetradecane 10.88
    n-nonane 6.77
    undecane 4.37
    tert-butylcyclohexane 11.59
    cyclooctane 8.07
    cyclopentanol 29.3
    tetrahydropyran 72.5
    tert-amyl methyl ether 41.66
    2,5,8-trioxanonane 134.14
    1-hexene 12.69
    2-isopropoxyethanol 26.99
    2,2,2-trifluoroethanol 8.99
    methyl butyrate 87.28

    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