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 78.74%
    Fatty 67.95%
    Oily 39.44%
    Odorless 29.52%
    Creamy 25.95%
    Dairy 24.02%
    Meaty 23.46%
    Soapy 22.15%
    Milky 21.29%
    Savory 20.95%

     

    Flavor
    Waxy 49.8%
    Fatty 44.29%
    Mild 35.13%
    Fat 32.51%
    Bland 28.77%
    Faint 27.31%
    Coconut 26.48%
    Slightly waxy 25.82%
    Oily 25.69%
    Odorless 24.59%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    -895763.7 (strong acid)

    Molecular weight
    719.2 g/mol

    Flash point

    • 153.08 ˚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 14.89
    methanol 24.82
    isopropanol 8.45
    water 0.96
    ethyl acetate 27.82
    n-propanol 14.14
    acetone 37.14
    n-butanol 11.81
    acetonitrile 13.64
    DMF 68.26
    toluene 8.43
    isobutanol 9.49
    1,4-dioxane 25.95
    methyl acetate 21.5
    THF 42.36
    2-butanone 26.91
    n-pentanol 14.56
    sec-butanol 9.25
    n-hexane 4.54
    ethylene glycol 7.0
    NMP 136.34
    cyclohexane 4.13
    DMSO 110.7
    n-butyl acetate 26.75
    n-octanol 10.93
    chloroform 113.94
    n-propyl acetate 33.01
    acetic acid 45.33
    dichloromethane 119.94
    cyclohexanone 56.4
    propylene glycol 10.52
    isopropyl acetate 25.42
    DMAc 91.3
    2-ethoxyethanol 43.58
    isopentanol 12.08
    n-heptane 3.73
    ethyl formate 24.89
    1,2-dichloroethane 72.48
    n-hexanol 12.11
    2-methoxyethanol 43.16
    isobutyl acetate 19.16
    tetrachloromethane 22.66
    n-pentyl acetate 37.88
    transcutol 127.04
    n-heptanol 12.72
    ethylbenzene 10.83
    MIBK 23.96
    2-propoxyethanol 39.74
    tert-butanol 11.64
    MTBE 9.24
    2-butoxyethanol 40.34
    propionic acid 30.23
    o-xylene 13.52
    formic acid 24.64
    diethyl ether 14.94
    m-xylene 11.93
    p-xylene 13.71
    chlorobenzene 17.55
    dimethyl carbonate 16.06
    n-octane 2.17
    formamide 44.61
    cyclopentanone 68.49
    2-pentanone 28.22
    anisole 18.32
    cyclopentyl methyl ether 26.71
    gamma-butyrolactone 85.34
    1-methoxy-2-propanol 39.56
    pyridine 27.36
    3-pentanone 27.85
    furfural 84.85
    n-dodecane 1.1
    diethylene glycol 31.59
    diisopropyl ether 8.04
    tert-amyl alcohol 11.83
    acetylacetone 53.91
    n-hexadecane 1.26
    acetophenone 36.47
    methyl propionate 27.33
    isopentyl acetate 24.41
    trichloroethylene 121.49
    n-nonanol 11.53
    cyclohexanol 13.77
    benzyl alcohol 19.05
    2-ethylhexanol 11.69
    isooctanol 12.41
    dipropyl ether 18.23
    1,2-dichlorobenzene 32.81
    ethyl lactate 31.99
    propylene carbonate 55.37
    n-methylformamide 36.94
    2-pentanol 8.97
    n-pentane 2.85
    1-propoxy-2-propanol 33.6
    1-methoxy-2-propyl acetate 39.78
    2-(2-methoxypropoxy) propanol 42.72
    mesitylene 11.59
    ε-caprolactone 58.92
    p-cymene 11.79
    epichlorohydrin 78.31
    1,1,1-trichloroethane 53.4
    2-aminoethanol 15.59
    morpholine-4-carbaldehyde 89.79
    sulfolane 181.47
    2,2,4-trimethylpentane 2.15
    2-methyltetrahydrofuran 26.45
    n-hexyl acetate 32.66
    isooctane 1.71
    2-(2-butoxyethoxy)ethanol 52.03
    sec-butyl acetate 23.49
    tert-butyl acetate 30.2
    decalin 4.46
    glycerin 26.08
    diglyme 101.75
    acrylic acid 29.99
    isopropyl myristate 12.38
    n-butyric acid 36.1
    acetyl acetate 33.73
    di(2-ethylhexyl) phthalate 17.51
    ethyl propionate 31.67
    nitromethane 75.54
    1,2-diethoxyethane 35.64
    benzonitrile 17.55
    trioctyl phosphate 12.91
    1-bromopropane 29.75
    gamma-valerolactone 103.23
    n-decanol 7.75
    triethyl phosphate 24.61
    4-methyl-2-pentanol 8.41
    propionitrile 12.29
    vinylene carbonate 47.21
    1,1,2-trichlorotrifluoroethane 119.91
    DMS 35.68
    cumene 11.06
    2-octanol 8.42
    2-hexanone 28.27
    octyl acetate 15.59
    limonene 14.41
    1,2-dimethoxyethane 56.48
    ethyl orthosilicate 23.39
    tributyl phosphate 17.45
    diacetone alcohol 40.89
    N,N-dimethylaniline 23.68
    acrylonitrile 16.51
    aniline 12.2
    1,3-propanediol 16.22
    bromobenzene 20.16
    dibromomethane 72.49
    1,1,2,2-tetrachloroethane 129.59
    2-methyl-cyclohexyl acetate 31.49
    tetrabutyl urea 25.72
    diisobutyl methanol 10.0
    2-phenylethanol 20.17
    styrene 10.84
    dioctyl adipate 23.72
    dimethyl sulfate 52.09
    ethyl butyrate 29.69
    methyl lactate 33.1
    butyl lactate 41.95
    diethyl carbonate 21.58
    propanediol butyl ether 36.2
    triethyl orthoformate 28.5
    p-tert-butyltoluene 11.16
    methyl 4-tert-butylbenzoate 50.97
    morpholine 34.8
    tert-butylamine 6.89
    n-dodecanol 5.34
    dimethoxymethane 37.96
    ethylene carbonate 36.58
    cyrene 60.16
    2-ethoxyethyl acetate 50.38
    2-ethylhexyl acetate 21.62
    1,2,4-trichlorobenzene 39.95
    4-methylpyridine 23.15
    dibutyl ether 13.82
    2,6-dimethyl-4-heptanol 10.0
    DEF 47.16
    dimethyl isosorbide 83.41
    tetrachloroethylene 87.15
    eugenol 47.68
    triacetin 59.6
    span 80 38.39
    1,4-butanediol 11.16
    1,1-dichloroethane 44.81
    2-methyl-1-pentanol 14.77
    methyl formate 27.33
    2-methyl-1-butanol 11.11
    n-decane 2.32
    butyronitrile 12.18
    3,7-dimethyl-1-octanol 11.19
    1-chlorooctane 10.26
    1-chlorotetradecane 3.52
    n-nonane 2.27
    undecane 1.51
    tert-butylcyclohexane 3.63
    cyclooctane 2.67
    cyclopentanol 17.06
    tetrahydropyran 19.77
    tert-amyl methyl ether 12.22
    2,5,8-trioxanonane 66.82
    1-hexene 9.79
    2-isopropoxyethanol 30.66
    2,2,2-trifluoroethanol 32.0
    methyl butyrate 39.19

    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