Phytanic Acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14721-66-5

    Molecular formula
    C20H40O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 69.19%
    Floral 54.86%
    Fatty 46.01%
    Oily 41.45%
    Green 40.51%
    Woody 36.07%
    Fresh 29.53%
    Balsamic 29.51%
    Sweet 28.28%
    Citrus 28.16%

     

    Flavor
    Mild 29.28%
    Bland 28.03%
    Waxy 27.78%
    Oily 24.32%
    Delicate 23.99%
    Faint 23.53%
    Slightly waxy 22.84%
    Woody 22.79%
    Fat 22.29%
    Bay oil 21.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.3

    pKa est.
    7.4 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    365°C

    Flash point

    • 179.67 ˚C est.

  • Synonyms

    • PHYTANIC ACID
    • 3,7,11,15-Tetramethylhexadecanoic acid
    • 14721-66-5
    • Phytanoic acid
    • Hexadecanoic acid, 3,7,11,15-tetramethyl-
    • DTXSID80864526
    • 8OYE5TF5VL
    • 3,7,11,15-Tetramethyl-hexadecansaeure
    • 3,7,11,15-tetramethyl-hexadecanoic acid
    • CHEBI:16285
    • NSC-108698
    • Acid, Phytanic
    • RefChem:174094
    • DTXCID00813031
    • 630-841-4
    • 3,7R,11R,15-tetramethyl-hexadecanoic acid
    • MFCD00133772
    • PHYTANIC ACID (3-Methyl-D3)
    • Phytanoate
    • 3,7,11,15-Tetramethylhexadecanoic Acid; NSC 108698; Phytanic Acid
    • PHYTANICACID
    • NSC 108698
    • UNII-8OYE5TF5VL
    • SCHEMBL7888
    • GTPL2813
    • orb1983479
    • CHEMBL4853893
    • SCHEMBL10504800
    • BDBM119875
    • HMS3649L09
    • IFC92040
    • NSC108698
    • 3,11,15-Tetramethylhexadecanoic acid
    • 3,7,11,15-tetramethylhexadecoanoate
    • Fats And Glyceridic Oils Impurity 19
    • 3,7,11,15-Tetramethyl-hexadecanoate
    • 3,7,11,15-tetramethylhexadecoanoic acid
    • AS-82571
    • FP159090
    • Hexadecanoic acid,7,11,15-tetramethyl-
    • SY334753
    • 3,7,11,15-tetramethyl hexadecanoic acid
    • DB-371688
    • HY-113067
    • 3,7,11,15-tetramethyl-1-hexadecanoic acid
    • CS-0059480
    • NS00075527
    • C01607
    • D86399
    • F813175
    • Q421171
    • SR-01000946672
    • SR-01000946672-1
    • 14721-66-5

  • Applications

    Phytanic acid (CAS 14721-66-5) is a branched fatty acid that is primarily used as an intermediate in the synthesis of branched-chain fatty acid derivatives. It serves as a starting material to prepare esters and alcohols with branching, which can feed into specialty surfactants and cosmetic ingredients, and can be used as a modifier or precursor in polymer and coating formulations to impart branched-chain characteristics. In cosmetics and personal care, it may function as an emollient or conditioning component when incorporated into formulations. It also appears in lipid-chemistry research and as a reagent in studies aimed at developing related branched fatty acid derivatives. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 506.77
    methanol 300.46
    isopropanol 483.43
    water 0.03
    ethyl acetate 367.81
    n-propanol 417.33
    acetone 359.29
    n-butanol 415.9
    acetonitrile 75.46
    DMF 289.0
    toluene 142.24
    isobutanol 348.43
    1,4-dioxane 592.93
    methyl acetate 187.95
    THF 1738.59
    2-butanone 380.46
    n-pentanol 367.04
    sec-butanol 381.43
    n-hexane 123.01
    ethylene glycol 8.47
    NMP 461.91
    cyclohexane 158.31
    DMSO 345.15
    n-butyl acetate 553.8
    n-octanol 223.44
    chloroform 432.05
    n-propyl acetate 476.29
    acetic acid 144.41
    dichloromethane 366.08
    cyclohexanone 790.64
    propylene glycol 54.15
    isopropyl acetate 424.34
    DMAc 381.29
    2-ethoxyethanol 413.88
    isopentanol 446.96
    n-heptane 84.05
    ethyl formate 138.33
    1,2-dichloroethane 311.23
    n-hexanol 389.55
    2-methoxyethanol 461.32
    isobutyl acetate 402.85
    tetrachloromethane 108.77
    n-pentyl acetate 495.01
    transcutol 1485.07
    n-heptanol 263.2
    ethylbenzene 133.21
    MIBK 442.65
    2-propoxyethanol 546.67
    tert-butanol 664.48
    MTBE 726.26
    2-butoxyethanol 464.09
    propionic acid 148.2
    o-xylene 122.39
    formic acid 21.48
    diethyl ether 494.77
    m-xylene 140.29
    p-xylene 178.95
    chlorobenzene 176.08
    dimethyl carbonate 42.15
    n-octane 31.3
    formamide 37.04
    cyclopentanone 706.1
    2-pentanone 457.37
    anisole 241.56
    cyclopentyl methyl ether 725.62
    gamma-butyrolactone 543.5
    1-methoxy-2-propanol 560.16
    pyridine 303.65
    3-pentanone 243.35
    furfural 340.38
    n-dodecane 14.85
    diethylene glycol 177.87
    diisopropyl ether 242.43
    tert-amyl alcohol 523.84
    acetylacetone 384.47
    n-hexadecane 17.92
    acetophenone 245.45
    methyl propionate 197.8
    isopentyl acetate 630.95
    trichloroethylene 453.72
    n-nonanol 211.06
    cyclohexanol 472.45
    benzyl alcohol 174.16
    2-ethylhexanol 325.21
    isooctanol 270.17
    dipropyl ether 502.17
    1,2-dichlorobenzene 179.78
    ethyl lactate 133.79
    propylene carbonate 301.37
    n-methylformamide 107.49
    2-pentanol 344.84
    n-pentane 65.05
    1-propoxy-2-propanol 606.59
    1-methoxy-2-propyl acetate 501.52
    2-(2-methoxypropoxy) propanol 347.96
    mesitylene 118.93
    ε-caprolactone 688.25
    p-cymene 120.99
    epichlorohydrin 662.54
    1,1,1-trichloroethane 348.5
    2-aminoethanol 71.41
    morpholine-4-carbaldehyde 492.02
    sulfolane 696.01
    2,2,4-trimethylpentane 54.68
    2-methyltetrahydrofuran 1150.03
    n-hexyl acetate 540.17
    isooctane 50.0
    2-(2-butoxyethoxy)ethanol 544.9
    sec-butyl acetate 433.79
    tert-butyl acetate 617.36
    decalin 72.09
    glycerin 59.85
    diglyme 887.35
    acrylic acid 63.39
    isopropyl myristate 190.85
    n-butyric acid 466.79
    acetyl acetate 157.99
    di(2-ethylhexyl) phthalate 143.9
    ethyl propionate 300.43
    nitromethane 180.79
    1,2-diethoxyethane 664.48
    benzonitrile 164.71
    trioctyl phosphate 116.06
    1-bromopropane 283.18
    gamma-valerolactone 966.56
    n-decanol 142.2
    triethyl phosphate 148.02
    4-methyl-2-pentanol 285.87
    propionitrile 112.5
    vinylene carbonate 180.13
    1,1,2-trichlorotrifluoroethane 324.31
    DMS 165.93
    cumene 117.53
    2-octanol 213.02
    2-hexanone 531.99
    octyl acetate 233.73
    limonene 225.27
    1,2-dimethoxyethane 780.56
    ethyl orthosilicate 182.3
    tributyl phosphate 136.7
    diacetone alcohol 570.79
    N,N-dimethylaniline 191.44
    acrylonitrile 76.24
    aniline 157.9
    1,3-propanediol 186.66
    bromobenzene 182.5
    dibromomethane 294.17
    1,1,2,2-tetrachloroethane 473.43
    2-methyl-cyclohexyl acetate 415.25
    tetrabutyl urea 183.48
    diisobutyl methanol 221.16
    2-phenylethanol 230.47
    styrene 126.0
    dioctyl adipate 259.76
    dimethyl sulfate 82.65
    ethyl butyrate 415.88
    methyl lactate 91.01
    butyl lactate 327.37
    diethyl carbonate 170.39
    propanediol butyl ether 359.86
    triethyl orthoformate 323.2
    p-tert-butyltoluene 126.99
    methyl 4-tert-butylbenzoate 314.43
    morpholine 961.83
    tert-butylamine 460.23
    n-dodecanol 98.84
    dimethoxymethane 299.45
    ethylene carbonate 187.98
    cyrene 284.2
    2-ethoxyethyl acetate 470.5
    2-ethylhexyl acetate 501.6
    1,2,4-trichlorobenzene 209.24
    4-methylpyridine 341.01
    dibutyl ether 426.12
    2,6-dimethyl-4-heptanol 221.16
    DEF 389.82
    dimethyl isosorbide 622.12
    tetrachloroethylene 292.98
    eugenol 248.39
    triacetin 368.88
    span 80 352.24
    1,4-butanediol 70.82
    1,1-dichloroethane 321.93
    2-methyl-1-pentanol 373.3
    methyl formate 57.21
    2-methyl-1-butanol 360.85
    n-decane 38.28
    butyronitrile 227.99
    3,7-dimethyl-1-octanol 261.29
    1-chlorooctane 175.03
    1-chlorotetradecane 48.7
    n-nonane 39.31
    undecane 22.28
    tert-butylcyclohexane 79.56
    cyclooctane 47.39
    cyclopentanol 428.85
    tetrahydropyran 1147.56
    tert-amyl methyl ether 469.4
    2,5,8-trioxanonane 520.26
    1-hexene 312.62
    2-isopropoxyethanol 394.26
    2,2,2-trifluoroethanol 35.57
    methyl butyrate 430.95

    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