neodecanoic acid, zinc salt

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  • Identifiers

    CAS number
    27253-29-8

    Molecular formula
    C20H38O4Zn

    SMILES
    CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Zn+2]

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 61.96%
    Fatty 45.09%
    Dry 44.8%
    Musk 41.18%
    Floral 34.47%
    Amber 32.77%
    Vetiver 28.7%
    Camphoreous 28.55%
    Animal 28.46%
    Orris 28.16%

     

    Flavor
    Green 55.55%
    Woody 35.27%
    Earthy 29.41%
    Floral 28.12%
    Herbal 25.51%
    Musty 25.47%
    Mild 24.29%
    Pungent 23.61%
    Leaf 21.67%
    Lily 21.54%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    4.67 (weak acid)

    Molecular weight
    407.9 g/mol

    Flash point

    • 84.32 ˚C est.

  • Synonyms

    • 27253-29-8
    • Neodecanoic acid, zinc salt
    • Caswell No. 919A
    • UNII-VPR8224Z3T
    • EINECS 248-370-4
    • EPA Pesticide Chemical Code 097502
    • EC 248-370-4
    • RefChem:202266
    • Neodecanoic acid, zinc salt (2:1)
    • zinc;3,3,5,5-tetramethylhexanoate
    • SCHEMBL245619
    • JUODUXKPGONLIM-UHFFFAOYSA-L
    • NS00130362
    • 27253-29-8

  • Applications

    CAS 27253-29-8, neodecanoic acid, zinc salt, is used in several industrial applications as a metal soap additive and functional additive: as a drying agent for oil- and alkyd-based coatings; as a heat stabilizer for PVC and other polymers; as a lubricant/processing aid in plastics and rubber formulations; and as an intermediate or catalyst in organic synthesis where zinc carboxylates are employed.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 850.57
    methanol 1174.24
    isopropanol 578.15
    water 17.15
    ethyl acetate 1041.37
    n-propanol 706.61
    acetone 960.93
    n-butanol 662.98
    acetonitrile 707.33
    DMF 1551.56
    toluene 502.48
    isobutanol 534.83
    1,4-dioxane 1219.08
    methyl acetate 952.74
    THF 2802.4
    2-butanone 769.05
    n-pentanol 371.83
    sec-butanol 552.13
    n-hexane 196.41
    ethylene glycol 328.51
    NMP 2886.95
    cyclohexane 250.54
    DMSO 861.63
    n-butyl acetate 956.58
    n-octanol 537.48
    chloroform 1590.47
    n-propyl acetate 567.75
    acetic acid 1523.65
    dichloromethane 1398.09
    cyclohexanone 1488.89
    propylene glycol 501.04
    isopropyl acetate 745.26
    DMAc 1204.43
    2-ethoxyethanol 484.5
    isopentanol 501.21
    n-heptane 227.65
    ethyl formate 795.9
    1,2-dichloroethane 882.05
    n-hexanol 1044.57
    2-methoxyethanol 1139.87
    isobutyl acetate 422.34
    tetrachloromethane 353.51
    n-pentyl acetate 596.59
    transcutol 1843.87
    n-heptanol 422.54
    ethylbenzene 300.52
    MIBK 600.22
    2-propoxyethanol 1340.83
    tert-butanol 718.64
    MTBE 618.06
    2-butoxyethanol 648.32
    propionic acid 1063.94
    o-xylene 375.94
    formic acid 781.17
    diethyl ether 670.55
    m-xylene 495.26
    p-xylene 339.85
    chlorobenzene 650.92
    dimethyl carbonate 581.11
    n-octane 80.97
    formamide 642.11
    cyclopentanone 1935.16
    2-pentanone 779.21
    anisole 586.42
    cyclopentyl methyl ether 1578.82
    gamma-butyrolactone 2707.24
    1-methoxy-2-propanol 1004.56
    pyridine 931.14
    3-pentanone 605.45
    furfural 1826.92
    n-dodecane 57.67
    diethylene glycol 833.76
    diisopropyl ether 316.53
    tert-amyl alcohol 638.56
    acetylacetone 988.02
    n-hexadecane 63.88
    acetophenone 563.36
    methyl propionate 960.25
    isopentyl acetate 875.65
    trichloroethylene 1715.56
    n-nonanol 448.71
    cyclohexanol 821.13
    benzyl alcohol 409.17
    2-ethylhexanol 628.39
    isooctanol 326.33
    dipropyl ether 586.74
    1,2-dichlorobenzene 662.4
    ethyl lactate 401.91
    propylene carbonate 1792.61
    n-methylformamide 1023.44
    2-pentanol 502.53
    n-pentane 179.85
    1-propoxy-2-propanol 1020.23
    1-methoxy-2-propyl acetate 1189.77
    2-(2-methoxypropoxy) propanol 653.01
    mesitylene 341.35
    ε-caprolactone 1653.69
    p-cymene 306.76
    epichlorohydrin 2047.71
    1,1,1-trichloroethane 1061.09
    2-aminoethanol 602.21
    morpholine-4-carbaldehyde 1876.37
    sulfolane 2636.26
    2,2,4-trimethylpentane 108.93
    2-methyltetrahydrofuran 1933.13
    n-hexyl acetate 1086.07
    isooctane 97.17
    2-(2-butoxyethoxy)ethanol 850.36
    sec-butyl acetate 431.44
    tert-butyl acetate 977.6
    decalin 159.63
    glycerin 600.6
    diglyme 1151.93
    acrylic acid 961.18
    isopropyl myristate 396.14
    n-butyric acid 1204.77
    acetyl acetate 845.25
    di(2-ethylhexyl) phthalate 400.1
    ethyl propionate 621.58
    nitromethane 1761.36
    1,2-diethoxyethane 606.75
    benzonitrile 592.86
    trioctyl phosphate 328.17
    1-bromopropane 573.99
    gamma-valerolactone 2367.97
    n-decanol 320.32
    triethyl phosphate 367.59
    4-methyl-2-pentanol 334.32
    propionitrile 591.63
    vinylene carbonate 1346.13
    1,1,2-trichlorotrifluoroethane 1394.47
    DMS 866.82
    cumene 239.75
    2-octanol 317.88
    2-hexanone 493.78
    octyl acetate 540.41
    limonene 540.42
    1,2-dimethoxyethane 798.91
    ethyl orthosilicate 361.14
    tributyl phosphate 408.68
    diacetone alcohol 949.12
    N,N-dimethylaniline 449.19
    acrylonitrile 712.89
    aniline 582.66
    1,3-propanediol 616.48
    bromobenzene 617.86
    dibromomethane 963.47
    1,1,2,2-tetrachloroethane 1272.82
    2-methyl-cyclohexyl acetate 673.06
    tetrabutyl urea 494.36
    diisobutyl methanol 325.89
    2-phenylethanol 685.97
    styrene 296.84
    dioctyl adipate 533.56
    dimethyl sulfate 876.39
    ethyl butyrate 658.94
    methyl lactate 650.96
    butyl lactate 578.39
    diethyl carbonate 451.26
    propanediol butyl ether 722.28
    triethyl orthoformate 510.75
    p-tert-butyltoluene 334.04
    methyl 4-tert-butylbenzoate 775.71
    morpholine 1544.29
    tert-butylamine 521.22
    n-dodecanol 229.45
    dimethoxymethane 1139.43
    ethylene carbonate 1111.89
    cyrene 736.95
    2-ethoxyethyl acetate 745.89
    2-ethylhexyl acetate 722.2
    1,2,4-trichlorobenzene 797.86
    4-methylpyridine 1041.01
    dibutyl ether 472.77
    2,6-dimethyl-4-heptanol 325.89
    DEF 940.14
    dimethyl isosorbide 1481.94
    tetrachloroethylene 894.63
    eugenol 601.73
    triacetin 931.48
    span 80 748.44
    1,4-butanediol 214.52
    1,1-dichloroethane 922.89
    2-methyl-1-pentanol 314.48
    methyl formate 950.07
    2-methyl-1-butanol 519.02
    n-decane 105.41
    butyronitrile 636.93
    3,7-dimethyl-1-octanol 484.21
    1-chlorooctane 362.42
    1-chlorotetradecane 143.4
    n-nonane 113.83
    undecane 75.18
    tert-butylcyclohexane 165.35
    cyclooctane 131.43
    cyclopentanol 1037.44
    tetrahydropyran 1365.76
    tert-amyl methyl ether 612.13
    2,5,8-trioxanonane 807.6
    1-hexene 390.82
    2-isopropoxyethanol 358.02
    2,2,2-trifluoroethanol 696.16
    methyl butyrate 760.68

    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