2,2,6,10,14-Pentamethylpentadecanoic acid

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  • Identifiers

    CAS number
    122706-67-6

    Molecular formula
    C20H40O2

    SMILES
    CC(C)CCCC(C)CCCC(C)CCCC(C)(C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.57%
    Floral 47.36%
    Woody 44.88%
    Fatty 42.91%
    Oily 41.05%
    Green 35.4%
    Balsamic 32.05%
    Herbal 30.43%
    Fresh 29.7%
    Sweet 26.91%

     

    Flavor
    Waxy 28.71%
    Mild 28.43%
    Woody 27.23%
    Oily 25.41%
    Bland 25.25%
    Delicate 24.42%
    Leathery 22.24%
    Slightly waxy 21.72%
    Yeasty 21.44%
    Beer 20.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.3

    pKa est.
    7.66 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point

    • 172.12 ˚C est.

  • Synonyms

    • 2,2,6,10,14-pentamethylpentadecanoic acid
    • 122706-67-6
    • RefChem:80901
    • CHEBI:179703
    • DTXSID901271352
    • 122706-67-6

  • Applications

    2,2,6,10,14-Pentamethylpentadecanoic acid (CAS 122706-67-6) is a branched long-chain fatty acid that is used as a specialty additive and intermediate in several industrial sectors; in polymers and plastics, it can serve as a processing aid or lubricant component to assist melt processing and film formation; in coatings and inks, it provides a waxy constituent or a precursor for surfactant systems to improve gloss and stability; in cosmetics and personal care, it may function as a waxy emollient and as a feedstock for branched ester derivatives; in household and cleaning products, it can act as a surfactant or emulsifier component; and as an intermediate for the synthesis of branched acids and esters, its use is typically evaluated against formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 845.56
    methanol 423.11
    isopropanol 827.28
    water 0.04
    ethyl acetate 1176.45
    n-propanol 754.52
    acetone 575.19
    n-butanol 803.69
    acetonitrile 163.45
    DMF 590.38
    toluene 428.14
    isobutanol 627.37
    1,4-dioxane 1337.28
    methyl acetate 568.21
    THF 2739.86
    2-butanone 954.42
    n-pentanol 650.2
    sec-butanol 900.18
    n-hexane 268.12
    ethylene glycol 10.9
    NMP 664.48
    cyclohexane 295.4
    DMSO 351.77
    n-butyl acetate 1438.61
    n-octanol 449.69
    chloroform 1045.56
    n-propyl acetate 1145.0
    acetic acid 210.22
    dichloromethane 874.61
    cyclohexanone 1334.94
    propylene glycol 68.1
    isopropyl acetate 1185.33
    DMAc 836.36
    2-ethoxyethanol 780.41
    isopentanol 889.51
    n-heptane 164.85
    ethyl formate 345.52
    1,2-dichloroethane 694.37
    n-hexanol 805.91
    2-methoxyethanol 742.13
    isobutyl acetate 878.8
    tetrachloromethane 261.48
    n-pentyl acetate 1128.13
    transcutol 2772.34
    n-heptanol 542.28
    ethylbenzene 361.69
    MIBK 913.66
    2-propoxyethanol 1072.27
    tert-butanol 1277.98
    MTBE 2366.66
    2-butoxyethanol 928.0
    propionic acid 266.99
    o-xylene 338.98
    formic acid 32.35
    diethyl ether 1408.26
    m-xylene 383.32
    p-xylene 478.99
    chlorobenzene 446.66
    dimethyl carbonate 114.69
    n-octane 69.85
    formamide 68.36
    cyclopentanone 1074.59
    2-pentanone 1052.61
    anisole 655.3
    cyclopentyl methyl ether 1375.8
    gamma-butyrolactone 888.99
    1-methoxy-2-propanol 944.66
    pyridine 727.9
    3-pentanone 604.26
    furfural 577.22
    n-dodecane 29.27
    diethylene glycol 261.98
    diisopropyl ether 661.9
    tert-amyl alcohol 1319.44
    acetylacetone 765.36
    n-hexadecane 35.37
    acetophenone 566.35
    methyl propionate 598.65
    isopentyl acetate 1587.34
    trichloroethylene 1097.89
    n-nonanol 420.92
    cyclohexanol 747.79
    benzyl alcohol 384.8
    2-ethylhexanol 714.3
    isooctanol 597.17
    dipropyl ether 1054.4
    1,2-dichlorobenzene 446.07
    ethyl lactate 278.77
    propylene carbonate 595.75
    n-methylformamide 218.33
    2-pentanol 739.14
    n-pentane 156.62
    1-propoxy-2-propanol 1215.64
    1-methoxy-2-propyl acetate 1193.5
    2-(2-methoxypropoxy) propanol 677.35
    mesitylene 299.12
    ε-caprolactone 1353.65
    p-cymene 299.76
    epichlorohydrin 1263.19
    1,1,1-trichloroethane 821.42
    2-aminoethanol 99.7
    morpholine-4-carbaldehyde 899.29
    sulfolane 834.19
    2,2,4-trimethylpentane 150.61
    2-methyltetrahydrofuran 2239.72
    n-hexyl acetate 1160.5
    isooctane 132.74
    2-(2-butoxyethoxy)ethanol 1036.01
    sec-butyl acetate 1125.44
    tert-butyl acetate 1497.66
    decalin 176.28
    glycerin 71.76
    diglyme 1768.23
    acrylic acid 107.41
    isopropyl myristate 405.36
    n-butyric acid 853.62
    acetyl acetate 407.85
    di(2-ethylhexyl) phthalate 275.87
    ethyl propionate 838.46
    nitromethane 339.99
    1,2-diethoxyethane 1556.81
    benzonitrile 379.09
    trioctyl phosphate 224.1
    1-bromopropane 717.04
    gamma-valerolactone 1571.34
    n-decanol 271.05
    triethyl phosphate 332.94
    4-methyl-2-pentanol 589.63
    propionitrile 301.1
    vinylene carbonate 390.17
    1,1,2-trichlorotrifluoroethane 503.27
    DMS 387.03
    cumene 298.23
    2-octanol 471.75
    2-hexanone 1087.05
    octyl acetate 468.1
    limonene 498.8
    1,2-dimethoxyethane 1540.26
    ethyl orthosilicate 423.69
    tributyl phosphate 272.11
    diacetone alcohol 1067.85
    N,N-dimethylaniline 489.97
    acrylonitrile 194.88
    aniline 370.12
    1,3-propanediol 296.03
    bromobenzene 494.82
    dibromomethane 676.33
    1,1,2,2-tetrachloroethane 1064.9
    2-methyl-cyclohexyl acetate 874.04
    tetrabutyl urea 335.55
    diisobutyl methanol 487.82
    2-phenylethanol 510.14
    styrene 357.1
    dioctyl adipate 503.08
    dimethyl sulfate 173.46
    ethyl butyrate 1042.68
    methyl lactate 181.12
    butyl lactate 658.94
    diethyl carbonate 443.9
    propanediol butyl ether 597.11
    triethyl orthoformate 796.15
    p-tert-butyltoluene 318.88
    methyl 4-tert-butylbenzoate 652.76
    morpholine 2039.35
    tert-butylamine 965.76
    n-dodecanol 185.99
    dimethoxymethane 699.06
    ethylene carbonate 414.55
    cyrene 482.36
    2-ethoxyethyl acetate 1092.4
    2-ethylhexyl acetate 1280.11
    1,2,4-trichlorobenzene 496.95
    4-methylpyridine 868.95
    dibutyl ether 902.76
    2,6-dimethyl-4-heptanol 487.82
    DEF 982.3
    dimethyl isosorbide 1152.84
    tetrachloroethylene 608.23
    eugenol 524.0
    triacetin 701.71
    span 80 645.51
    1,4-butanediol 112.33
    1,1-dichloroethane 816.86
    2-methyl-1-pentanol 782.62
    methyl formate 109.63
    2-methyl-1-butanol 763.14
    n-decane 79.44
    butyronitrile 578.44
    3,7-dimethyl-1-octanol 602.03
    1-chlorooctane 366.14
    1-chlorotetradecane 98.37
    n-nonane 81.6
    undecane 44.13
    tert-butylcyclohexane 204.97
    cyclooctane 106.31
    cyclopentanol 592.36
    tetrahydropyran 2298.08
    tert-amyl methyl ether 1417.41
    2,5,8-trioxanonane 971.1
    1-hexene 735.89
    2-isopropoxyethanol 785.06
    2,2,2-trifluoroethanol 57.27
    methyl butyrate 1093.98

    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