Isotetradecanoic acid

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  • Identifiers

    CAS number
    2724-57-4

    Molecular formula
    C14H28O2

    SMILES
    CC(C)CCCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 75.81%
    Fatty 73.85%
    Oily 37.19%
    Creamy 30.74%
    Milky 29.9%
    Dairy 29.35%
    Odorless 27.4%
    Citrus 25.9%
    Soapy 25.9%
    Woody 24.86%

     

    Flavor
    Fatty 59.54%
    Waxy 47.47%
    Fat 36.98%
    Oily 36.32%
    Mild 35.0%
    Coconut 31.35%
    Bland 28.22%
    Faint 28.06%
    Odorless 27.13%
    Soapy 26.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.61 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Melting point expt.

    • 53 °C

    Flash point

    • 156.47 ˚C est.

  • Synonyms

    • 12-methyltridecanoic acid
    • 2724-57-4
    • Aseanostatin P1
    • Tridecanoic acid, 12-methyl-
    • J1241I451J
    • DTXSID30181694
    • RefChem:437354
    • DTXCID70104185
    • 608-066-8
    • Isotetradecanoic acid
    • ISOMYRISTIC ACID
    • 12-methyltridecylic acid
    • Tridecanoic acid,12-methyl-
    • 12-methyl-tridecanoic acid
    • (+)-Isomyristic acid
    • Tridecanoic acid, 12-methyl
    • iso-C14:0
    • 12-methyl tridecanoic acid
    • Aseonostatin P1
    • UNII-J1241I451J
    • 12-Methyltridecansaeure
    • C14:0 iso
    • iso-14:0
    • 12-Methyltridecancarbonsaeure
    • SCHEMBL399776
    • orb1991595
    • SCHEMBL6060606
    • 12-METHYLTRIDECANOICACID
    • CHEBI:43722
    • i14:0
    • LMFA01020007
    • MFCD00083433
    • AKOS040735159
    • AS-86559
    • PD164116
    • HY-131420
    • CS-0134289
    • NS00028275
    • H55366
    • 12-Methyltridecanoic acid, 98% (capillary GC)
    • Q27104512
    • 2724-57-4

  • Applications

    Isotetradecanoic acid (CAS 2724-57-4) is used as a fatty acid feedstock and chemical intermediate in industrial manufacturing. It serves as a building block for the synthesis of fatty acid esters that function as lubricants and plasticizers, and it is a precursor for surfactants and emulsifiers used in detergents, cleaners, and personal-care formulations. It can be derivatized to cosmetic ingredients such as emollients and conditioning agents. In polymer and coatings applications, it provides raw material for the preparation of specialty polyester resins and related coatings, contributing to performance through its branched structure. It may also be evaluated as a solvent or processing aid in industrial formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1026.2
    methanol 699.38
    isopropanol 1153.33
    water 0.01
    ethyl acetate 639.59
    n-propanol 806.71
    acetone 896.68
    n-butanol 804.7
    acetonitrile 212.82
    DMF 783.04
    toluene 177.48
    isobutanol 708.5
    1,4-dioxane 715.77
    methyl acetate 329.15
    THF 2465.69
    2-butanone 831.31
    n-pentanol 700.92
    sec-butanol 772.84
    n-hexane 361.33
    ethylene glycol 34.75
    NMP 674.15
    cyclohexane 223.43
    DMSO 1093.47
    n-butyl acetate 870.71
    n-octanol 276.47
    chloroform 657.29
    n-propyl acetate 766.67
    acetic acid 237.88
    dichloromethane 609.81
    cyclohexanone 1226.7
    propylene glycol 168.27
    isopropyl acetate 693.24
    DMAc 642.64
    2-ethoxyethanol 702.73
    isopentanol 881.83
    n-heptane 124.14
    ethyl formate 251.52
    1,2-dichloroethane 638.12
    n-hexanol 699.3
    2-methoxyethanol 878.38
    isobutyl acetate 567.46
    tetrachloromethane 153.06
    n-pentyl acetate 570.95
    transcutol 2035.8
    n-heptanol 330.68
    ethylbenzene 166.03
    MIBK 756.15
    2-propoxyethanol 911.26
    tert-butanol 1417.42
    MTBE 1344.64
    2-butoxyethanol 590.93
    propionic acid 294.19
    o-xylene 153.33
    formic acid 40.23
    diethyl ether 956.2
    m-xylene 194.37
    p-xylene 214.79
    chlorobenzene 239.41
    dimethyl carbonate 76.77
    n-octane 43.18
    formamide 71.79
    cyclopentanone 1221.39
    2-pentanone 966.52
    anisole 324.02
    cyclopentyl methyl ether 1123.7
    gamma-butyrolactone 878.27
    1-methoxy-2-propanol 1053.31
    pyridine 457.79
    3-pentanone 461.94
    furfural 528.9
    n-dodecane 21.73
    diethylene glycol 369.03
    diisopropyl ether 402.18
    tert-amyl alcohol 1029.74
    acetylacetone 676.32
    n-hexadecane 26.14
    acetophenone 317.47
    methyl propionate 370.56
    isopentyl acetate 879.91
    trichloroethylene 765.15
    n-nonanol 249.49
    cyclohexanol 773.82
    benzyl alcohol 255.69
    2-ethylhexanol 484.18
    isooctanol 328.37
    dipropyl ether 758.93
    1,2-dichlorobenzene 251.31
    ethyl lactate 225.64
    propylene carbonate 484.91
    n-methylformamide 272.17
    2-pentanol 711.64
    n-pentane 142.62
    1-propoxy-2-propanol 897.92
    1-methoxy-2-propyl acetate 702.92
    2-(2-methoxypropoxy) propanol 424.53
    mesitylene 153.28
    ε-caprolactone 865.34
    p-cymene 130.53
    epichlorohydrin 1079.99
    1,1,1-trichloroethane 562.36
    2-aminoethanol 217.16
    morpholine-4-carbaldehyde 682.48
    sulfolane 1249.08
    2,2,4-trimethylpentane 77.09
    2-methyltetrahydrofuran 1610.55
    n-hexyl acetate 643.13
    isooctane 74.23
    2-(2-butoxyethoxy)ethanol 676.87
    sec-butyl acetate 626.41
    tert-butyl acetate 895.24
    decalin 107.8
    glycerin 167.32
    diglyme 1095.04
    acrylic acid 130.8
    isopropyl myristate 229.47
    n-butyric acid 811.79
    acetyl acetate 248.99
    di(2-ethylhexyl) phthalate 167.74
    ethyl propionate 510.69
    nitromethane 348.62
    1,2-diethoxyethane 903.56
    benzonitrile 258.75
    trioctyl phosphate 149.57
    1-bromopropane 603.8
    gamma-valerolactone 1272.51
    n-decanol 178.38
    triethyl phosphate 196.19
    4-methyl-2-pentanol 480.65
    propionitrile 288.46
    vinylene carbonate 284.95
    1,1,2-trichlorotrifluoroethane 560.98
    DMS 234.6
    cumene 142.81
    2-octanol 249.49
    2-hexanone 890.52
    octyl acetate 264.69
    limonene 254.87
    1,2-dimethoxyethane 1157.92
    ethyl orthosilicate 224.14
    tributyl phosphate 187.29
    diacetone alcohol 876.43
    N,N-dimethylaniline 241.96
    acrylonitrile 218.83
    aniline 248.42
    1,3-propanediol 432.56
    bromobenzene 260.55
    dibromomethane 521.1
    1,1,2,2-tetrachloroethane 840.89
    2-methyl-cyclohexyl acetate 460.11
    tetrabutyl urea 239.46
    diisobutyl methanol 291.33
    2-phenylethanol 313.49
    styrene 186.31
    dioctyl adipate 303.15
    dimethyl sulfate 162.22
    ethyl butyrate 589.24
    methyl lactate 177.57
    butyl lactate 390.14
    diethyl carbonate 251.25
    propanediol butyl ether 465.21
    triethyl orthoformate 406.09
    p-tert-butyltoluene 140.07
    methyl 4-tert-butylbenzoate 334.89
    morpholine 1312.46
    tert-butylamine 938.79
    n-dodecanol 128.95
    dimethoxymethane 570.29
    ethylene carbonate 289.66
    cyrene 339.63
    2-ethoxyethyl acetate 517.43
    2-ethylhexyl acetate 661.8
    1,2,4-trichlorobenzene 288.47
    4-methylpyridine 513.04
    dibutyl ether 581.2
    2,6-dimethyl-4-heptanol 291.33
    DEF 755.23
    dimethyl isosorbide 716.94
    tetrachloroethylene 489.53
    eugenol 300.73
    triacetin 425.72
    span 80 428.84
    1,4-butanediol 172.45
    1,1-dichloroethane 666.33
    2-methyl-1-pentanol 617.69
    methyl formate 120.98
    2-methyl-1-butanol 692.68
    n-decane 50.99
    butyronitrile 537.11
    3,7-dimethyl-1-octanol 351.51
    1-chlorooctane 228.34
    1-chlorotetradecane 68.97
    n-nonane 54.26
    undecane 31.31
    tert-butylcyclohexane 115.77
    cyclooctane 66.27
    cyclopentanol 796.96
    tetrahydropyran 1488.95
    tert-amyl methyl ether 805.01
    2,5,8-trioxanonane 644.39
    1-hexene 817.86
    2-isopropoxyethanol 650.61
    2,2,2-trifluoroethanol 58.61
    methyl butyrate 726.96

    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