2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-

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  • Identifiers

    CAS number
    7541-49-3

    Molecular formula
    C20H40O

    SMILES
    CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 82.77%
    Waxy 67.54%
    Green 62.64%
    Rose 51.19%
    Sweet 47.81%
    Balsamic 47.8%
    Fresh 46.96%
    Oily 45.09%
    Woody 44.08%
    Fruity 42.98%

     

    Flavor
    Waxy 46.49%
    Floral 43.78%
    Flower 32.46%
    Balsam 32.37%
    Citrus 30.93%
    Mild 30.72%
    Fresh 29.69%
    Oily 27.0%
    Delicate 26.67%
    Woody 24.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.2

    pKa est.
    8.58 (weak base)

    Molecular weight
    296.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 157.93 ˚C est.

  • Synonyms

    • Phytol
    • 7541-49-3
    • Phytol (cis/trans mixture)
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-
    • 3,7,11,15-Tetramethylhexadec-2-en-1-ol
    • DTXSID40859291
    • MFCD00151280
    • 123164-54-5
    • (2E)(7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
    • MFCD00002919
    • C20H40O
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-; 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; 3,7,11,15-Tetramethyl-2-hexadecene-1-ol; Phytol
    • AI3-36488
    • (Z,E)-phytol
    • Phytol (Natural isomer)
    • SCHEMBL22784
    • DTXCID30809705
    • AKOS026676614
    • 3,7,11,15-tetramethyl-2-hexadecenol
    • SY057287
    • SY316289
    • NS00079090
    • 3,7,11,15-tetramethyl-2-hexadecenyl alcohol
    • 3,7,11,15-TETRAMETHYL 2-HEXADECEN-1-OL
    • (7R,11R,E)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol
    • 616-221-6

  • Applications

    Phytol (CAS 7541-49-3) is a branched-chain diterpene alcohol mainly obtained from chlorophyll hydrolysis, widely used as a precursor for the synthesis of vitamins E and K₁, as a fresh-green fragrance ingredient in perfumes and cosmetics, as an emollient and surfactant in creams, a component of biodegradable lubricants, a biomass-based diesel additive, an excipient in drug and vaccine formulations (e.g., via conversion to phytantriol for cubosome nano-carriers), a supplement in microbial culture media, a natural antioxidant and antimicrobial agent in foods, and is being investigated for anti-inflammatory, anticancer and immunomodulatory potential in modern pharmacological research, owing to its high lipophilicity, biodegradability and relative safety for humans and the environment.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1286.87
    methanol 443.09
    isopropanol 1367.46
    water 0.02
    ethyl acetate 1605.79
    n-propanol 1177.67
    acetone 1156.2
    n-butanol 1450.84
    acetonitrile 244.77
    DMF 351.13
    toluene 490.91
    isobutanol 934.59
    1,4-dioxane 2352.88
    methyl acetate 626.78
    THF 4399.74
    2-butanone 1303.82
    n-pentanol 922.04
    sec-butanol 1245.11
    n-hexane 502.54
    ethylene glycol 10.68
    NMP 382.47
    cyclohexane 1041.37
    DMSO 508.29
    n-butyl acetate 1795.99
    n-octanol 496.52
    chloroform 1275.3
    n-propyl acetate 1383.63
    acetic acid 237.41
    dichloromethane 1138.59
    cyclohexanone 1815.28
    propylene glycol 59.07
    isopropyl acetate 1350.97
    DMAc 472.2
    2-ethoxyethanol 933.88
    isopentanol 1355.07
    n-heptane 613.27
    ethyl formate 402.96
    1,2-dichloroethane 939.21
    n-hexanol 1170.69
    2-methoxyethanol 966.95
    isobutyl acetate 903.7
    tetrachloromethane 362.34
    n-pentyl acetate 1171.88
    transcutol 3799.33
    n-heptanol 606.32
    ethylbenzene 322.18
    MIBK 1081.3
    2-propoxyethanol 1226.78
    tert-butanol 1833.78
    MTBE 2823.15
    2-butoxyethanol 957.16
    propionic acid 252.39
    o-xylene 304.8
    formic acid 22.0
    diethyl ether 3191.93
    m-xylene 365.77
    p-xylene 383.23
    chlorobenzene 419.83
    dimethyl carbonate 85.56
    n-octane 140.21
    formamide 43.18
    cyclopentanone 1251.65
    2-pentanone 1555.71
    anisole 534.76
    cyclopentyl methyl ether 1915.04
    gamma-butyrolactone 811.13
    1-methoxy-2-propanol 1049.61
    pyridine 920.0
    3-pentanone 834.13
    furfural 485.5
    n-dodecane 47.42
    diethylene glycol 264.08
    diisopropyl ether 975.87
    tert-amyl alcohol 1361.8
    acetylacetone 895.44
    n-hexadecane 58.31
    acetophenone 424.27
    methyl propionate 603.05
    isopentyl acetate 1768.92
    trichloroethylene 1114.35
    n-nonanol 471.99
    cyclohexanol 1240.34
    benzyl alcohol 296.51
    2-ethylhexanol 974.03
    isooctanol 626.81
    dipropyl ether 2628.24
    1,2-dichlorobenzene 357.5
    ethyl lactate 221.99
    propylene carbonate 521.94
    n-methylformamide 141.12
    2-pentanol 1109.22
    n-pentane 404.31
    1-propoxy-2-propanol 1460.26
    1-methoxy-2-propyl acetate 1176.09
    2-(2-methoxypropoxy) propanol 577.4
    mesitylene 283.43
    ε-caprolactone 1437.72
    p-cymene 337.27
    epichlorohydrin 1396.02
    1,1,1-trichloroethane 1048.71
    2-aminoethanol 95.61
    morpholine-4-carbaldehyde 745.51
    sulfolane 717.21
    2,2,4-trimethylpentane 188.55
    2-methyltetrahydrofuran 3210.67
    n-hexyl acetate 1208.37
    isooctane 175.32
    2-(2-butoxyethoxy)ethanol 1040.02
    sec-butyl acetate 1116.93
    tert-butyl acetate 1609.08
    decalin 232.47
    glycerin 67.06
    diglyme 2114.23
    acrylic acid 83.08
    isopropyl myristate 404.44
    n-butyric acid 1105.08
    acetyl acetate 498.64
    di(2-ethylhexyl) phthalate 225.68
    ethyl propionate 902.22
    nitromethane 332.73
    1,2-diethoxyethane 2428.18
    benzonitrile 350.08
    trioctyl phosphate 193.33
    1-bromopropane 1185.67
    gamma-valerolactone 1639.81
    n-decanol 298.85
    triethyl phosphate 348.07
    4-methyl-2-pentanol 685.21
    propionitrile 388.88
    vinylene carbonate 296.21
    1,1,2-trichlorotrifluoroethane 474.86
    DMS 303.1
    cumene 247.1
    2-octanol 457.74
    2-hexanone 1369.26
    octyl acetate 434.04
    limonene 720.08
    1,2-dimethoxyethane 2281.48
    ethyl orthosilicate 467.95
    tributyl phosphate 239.39
    diacetone alcohol 1090.21
    N,N-dimethylaniline 340.86
    acrylonitrile 191.92
    aniline 408.56
    1,3-propanediol 357.35
    bromobenzene 462.17
    dibromomethane 957.68
    1,1,2,2-tetrachloroethane 1123.24
    2-methyl-cyclohexyl acetate 842.7
    tetrabutyl urea 302.89
    diisobutyl methanol 676.79
    2-phenylethanol 449.14
    styrene 306.19
    dioctyl adipate 480.65
    dimethyl sulfate 106.69
    ethyl butyrate 1543.55
    methyl lactate 128.98
    butyl lactate 538.21
    diethyl carbonate 562.52
    propanediol butyl ether 492.56
    triethyl orthoformate 1105.25
    p-tert-butyltoluene 335.81
    methyl 4-tert-butylbenzoate 478.62
    morpholine 3064.16
    tert-butylamine 1458.3
    n-dodecanol 205.11
    dimethoxymethane 717.52
    ethylene carbonate 377.79
    cyrene 342.51
    2-ethoxyethyl acetate 1124.59
    2-ethylhexyl acetate 1387.57
    1,2,4-trichlorobenzene 384.72
    4-methylpyridine 941.45
    dibutyl ether 1540.2
    2,6-dimethyl-4-heptanol 676.79
    DEF 1018.89
    dimethyl isosorbide 983.02
    tetrachloroethylene 677.06
    eugenol 361.15
    triacetin 616.42
    span 80 575.09
    1,4-butanediol 106.26
    1,1-dichloroethane 1067.82
    2-methyl-1-pentanol 834.15
    methyl formate 83.04
    2-methyl-1-butanol 1031.78
    n-decane 139.02
    butyronitrile 886.58
    3,7-dimethyl-1-octanol 604.21
    1-chlorooctane 456.57
    1-chlorotetradecane 121.28
    n-nonane 155.04
    undecane 73.54
    tert-butylcyclohexane 231.11
    cyclooctane 278.55
    cyclopentanol 792.47
    tetrahydropyran 4789.27
    tert-amyl methyl ether 1485.88
    2,5,8-trioxanonane 1025.07
    1-hexene 1134.58
    2-isopropoxyethanol 811.83
    2,2,2-trifluoroethanol 41.83
    methyl butyrate 1216.89

    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