Phytantriol

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  • Identifiers

    CAS number
    74563-64-7

    Molecular formula
    C20H42O3

    SMILES
    CC(C)CCCC(C)CCCC(C)CCCC(C)(C(CO)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 56.63%
    Waxy 50.61%
    Floral 48.31%
    Sweet 34.53%
    Balsamic 33.9%
    Sandalwood 33.23%
    Fresh 32.73%
    Oily 32.21%
    Amber 31.07%
    Dry 28.03%

     

    Flavor
    Mild 40.34%
    Waxy 35.31%
    Floral 25.78%
    Bland 24.86%
    Oily 24.27%
    Flower 23.99%
    Delicate 23.34%
    Woody 22.93%
    Leathery 22.44%
    Yeasty 21.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    7.82 (neutral)

    Molecular weight
    330.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    350°C

    Flash point

    • 188.26 ˚C est.

  • Synonyms

    • Phytantriol
    • 74563-64-7
    • 3,7,11,15-Tetramethylhexadecane-1,2,3-triol
    • 3,7,11,15-TETRAMETHYL-1,2,3-HEXADECANETRIOL
    • 1,2,3-Hexadecanetriol, 3,7,11,15-tetramethyl-
    • 8LVI07A72W
    • CHEBI:47770
    • DTXSID10868315
    • RefChem:174096
    • GlyTouCan:G40063PW
    • DTXCID70816438
    • G40063PW
    • 277-923-2
    • 1,2,3-Hexadecanetriol,3,7,11,15-tetramethyl-
    • MFCD00129085
    • UNII-8LVI07A72W
    • EINECS 277-923-2
    • ORISTAR PTT
    • PHYTANTRIOL [MI]
    • SCHEMBL49962
    • tetramethyl trihydroxyhexadecane
    • orb2564008
    • SCHEMBL3564404
    • AKOS028110025
    • AS-66189
    • SY052553
    • CS-0205401
    • NS00009872
    • P1674
    • T72899
    • 3,7,11,15,-Tetramethyl-1,2,3-hexadecanetriol
    • 1,2,3-Trihydroxy-3,7,11,15-tetramethylhexadecane
    • Q27120789
    • 74563-64-7

  • Applications

    Phytantriol (CAS 74563-64-7) is used in cosmetics as a skin-conditioning agent and humectant, improving skin feel and moisture in moisturizers, serums, and hair care products; it also serves as a polyol intermediate in polyurethane production for coatings and adhesives, enabling control of hardness and flexibility; it may be used as a precursor for specialty esters and lipid-based additives employed in cosmetic and coating formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 597.87
    methanol 556.89
    isopropanol 351.96
    water 0.15
    ethyl acetate 332.63
    n-propanol 374.59
    acetone 269.51
    n-butanol 363.69
    acetonitrile 48.75
    DMF 218.9
    toluene 72.23
    isobutanol 257.87
    1,4-dioxane 752.26
    methyl acetate 155.43
    THF 1669.92
    2-butanone 255.32
    n-pentanol 233.4
    sec-butanol 270.13
    n-hexane 33.3
    ethylene glycol 17.17
    NMP 262.92
    cyclohexane 87.83
    DMSO 440.06
    n-butyl acetate 384.4
    n-octanol 193.45
    chloroform 236.9
    n-propyl acetate 319.62
    acetic acid 217.0
    dichloromethane 193.71
    cyclohexanone 526.33
    propylene glycol 64.61
    isopropyl acetate 345.77
    DMAc 267.81
    2-ethoxyethanol 481.22
    isopentanol 353.2
    n-heptane 46.88
    ethyl formate 149.53
    1,2-dichloroethane 171.88
    n-hexanol 300.79
    2-methoxyethanol 669.73
    isobutyl acetate 264.74
    tetrachloromethane 71.54
    n-pentyl acetate 372.49
    transcutol 1675.36
    n-heptanol 246.95
    ethylbenzene 64.06
    MIBK 313.68
    2-propoxyethanol 550.23
    tert-butanol 536.38
    MTBE 558.93
    2-butoxyethanol 511.16
    propionic acid 145.11
    o-xylene 70.31
    formic acid 51.1
    diethyl ether 371.53
    m-xylene 82.74
    p-xylene 78.45
    chlorobenzene 83.77
    dimethyl carbonate 51.68
    n-octane 17.65
    formamide 76.88
    cyclopentanone 493.79
    2-pentanone 306.94
    anisole 143.53
    cyclopentyl methyl ether 513.65
    gamma-butyrolactone 434.17
    1-methoxy-2-propanol 580.61
    pyridine 185.67
    3-pentanone 165.96
    furfural 289.38
    n-dodecane 7.76
    diethylene glycol 233.23
    diisopropyl ether 157.9
    tert-amyl alcohol 410.06
    acetylacetone 353.12
    n-hexadecane 9.18
    acetophenone 153.3
    methyl propionate 176.27
    isopentyl acetate 436.89
    trichloroethylene 261.22
    n-nonanol 179.82
    cyclohexanol 340.08
    benzyl alcohol 122.81
    2-ethylhexanol 232.51
    isooctanol 238.44
    dipropyl ether 331.27
    1,2-dichlorobenzene 92.81
    ethyl lactate 125.5
    propylene carbonate 244.27
    n-methylformamide 106.92
    2-pentanol 235.81
    n-pentane 26.49
    1-propoxy-2-propanol 546.26
    1-methoxy-2-propyl acetate 431.41
    2-(2-methoxypropoxy) propanol 300.88
    mesitylene 73.32
    ε-caprolactone 497.49
    p-cymene 74.54
    epichlorohydrin 507.14
    1,1,1-trichloroethane 160.21
    2-aminoethanol 100.21
    morpholine-4-carbaldehyde 421.57
    sulfolane 536.58
    2,2,4-trimethylpentane 30.95
    2-methyltetrahydrofuran 819.27
    n-hexyl acetate 381.59
    isooctane 26.8
    2-(2-butoxyethoxy)ethanol 554.5
    sec-butyl acetate 279.04
    tert-butyl acetate 532.29
    decalin 34.98
    glycerin 99.56
    diglyme 1001.89
    acrylic acid 68.55
    isopropyl myristate 121.52
    n-butyric acid 452.31
    acetyl acetate 162.49
    di(2-ethylhexyl) phthalate 103.99
    ethyl propionate 213.42
    nitromethane 242.76
    1,2-diethoxyethane 557.94
    benzonitrile 103.69
    trioctyl phosphate 92.58
    1-bromopropane 114.26
    gamma-valerolactone 828.73
    n-decanol 111.32
    triethyl phosphate 116.73
    4-methyl-2-pentanol 204.77
    propionitrile 69.59
    vinylene carbonate 158.77
    1,1,2-trichlorotrifluoroethane 309.41
    DMS 126.95
    cumene 58.47
    2-octanol 170.08
    2-hexanone 290.18
    octyl acetate 152.92
    limonene 143.87
    1,2-dimethoxyethane 796.84
    ethyl orthosilicate 140.13
    tributyl phosphate 98.14
    diacetone alcohol 522.66
    N,N-dimethylaniline 107.13
    acrylonitrile 53.5
    aniline 101.96
    1,3-propanediol 306.35
    bromobenzene 79.95
    dibromomethane 139.72
    1,1,2,2-tetrachloroethane 278.79
    2-methyl-cyclohexyl acetate 268.93
    tetrabutyl urea 122.51
    diisobutyl methanol 160.23
    2-phenylethanol 160.74
    styrene 56.75
    dioctyl adipate 179.67
    dimethyl sulfate 92.36
    ethyl butyrate 319.03
    methyl lactate 105.37
    butyl lactate 290.31
    diethyl carbonate 132.29
    propanediol butyl ether 365.99
    triethyl orthoformate 266.12
    p-tert-butyltoluene 81.1
    methyl 4-tert-butylbenzoate 236.97
    morpholine 1019.25
    tert-butylamine 302.01
    n-dodecanol 72.08
    dimethoxymethane 336.05
    ethylene carbonate 184.72
    cyrene 230.93
    2-ethoxyethyl acetate 411.06
    2-ethylhexyl acetate 320.68
    1,2,4-trichlorobenzene 110.24
    4-methylpyridine 172.14
    dibutyl ether 257.26
    2,6-dimethyl-4-heptanol 160.23
    DEF 283.98
    dimethyl isosorbide 482.98
    tetrachloroethylene 206.9
    eugenol 202.11
    triacetin 288.1
    span 80 301.71
    1,4-butanediol 86.4
    1,1-dichloroethane 135.41
    2-methyl-1-pentanol 239.48
    methyl formate 68.79
    2-methyl-1-butanol 268.44
    n-decane 21.05
    butyronitrile 138.89
    3,7-dimethyl-1-octanol 202.66
    1-chlorooctane 99.34
    1-chlorotetradecane 24.46
    n-nonane 21.12
    undecane 11.62
    tert-butylcyclohexane 35.89
    cyclooctane 30.94
    cyclopentanol 311.92
    tetrahydropyran 915.93
    tert-amyl methyl ether 342.81
    2,5,8-trioxanonane 517.76
    1-hexene 95.79
    2-isopropoxyethanol 399.19
    2,2,2-trifluoroethanol 54.44
    methyl butyrate 309.89

    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