Phytol

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  • Identifiers

    CAS number
    150-86-7

    Molecular formula
    C20H40O

    SMILES
    C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 2117.25
    • Carbowax: 2609.5

  • Odor profile

    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%

    Scent© AI

  • Properties

    XLogP3-AA
    8.2

    Molecular weight
    296.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • < 25 °C

    Boiling point

    • 202.00 to 204.00 °C. @ 10.00 mm Hg

    Flash point est.
    157.93 ˚C

    Solubility expt.

    • very slightly
    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Phytol
    • 150-86-7
    • trans-Phytol
    • (E)-Phytol
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2E,7R,11R)-
    • (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
    • (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol
    • CHEBI:17327
    • UNII-MZQ4XE15TP
    • MZQ4XE15TP
    • EINECS 205-776-6
    • BRN 1726098
    • CCRIS 8226
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (R-(R*,R*-(E)))-
    • AI3-24344
    • (E,R,R)-PHYTOL
    • 3,7,11,15-Tetramethylhexadec-2-en-1-ol
    • PHYTOL, (E)-
    • (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
    • DTXSID1040586
    • (7R,11R,2E)-PHYTOL
    • 4-01-00-02208 (Beilstein Handbook Reference)
    • FEMA NO. 4196, E-
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (7R,11R)-
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (theta-(theta,theta-(E)))-
    • 3R,7R,11R,15-tetramethyl-2E-hexadecen-1-ol
    • (7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-ol
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]-
    • (2E)(7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
    • 7541-49-3
    • Phytol, E-
    • PHYTOL [MI]
    • SCHEMBL22783
    • SCHEMBL22785
    • 3,7,11,15-teramethyl-2-hexadecene-1-ol-, (2E,7R,11R)-
    • 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-, (2E,7R,11R)-
    • CHEMBL1644111
    • DTXCID9020586
    • 123164-54-5
    • HY-N3075
    • BDBM50041288
    • AKOS015841769
    • PHYTOL (CHIRAL NATURAL ISOMER)
    • FP33649
    • LMPR0104010002
    • AS-18094
    • DA-76850
    • CS-0023163
    • NS00005387
    • P0411
    • C01389
    • EN300-18543961
    • EN300-21585234
    • Q415945
    • EF32FF86-42DC-475E-935A-5C0AE6F1CAA0
    • (7R,11R)-3,7,11,15-TETRAMETHYLHEXADEC-2-EN-1-OL
    • (2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol;(7R,11R,2E)-Phytol
    • 205-776-6
    • 416-120-5

  • Applications

    Phytol (CAS 150-86-7) is an acyclic diterpene alcohol that forms the phytyl side chain of chlorophyll and is widely used as a versatile intermediate across flavors and fragrances, food, cosmetics, fine chemicals, and research; in synthesis it provides the phytyl moiety for manufacturing vitamin K1 (phylloquinone) and serves as a key precursor en route to isophytol for vitamin E, while also yielding derivatives such as phytanic acid, phytanol, and phytantriol used to make surfactants, emulsions, and liquid-crystalline carriers for active delivery; in perfumery and consumer products phytol imparts fresh leafy green notes and is blended into perfumes, shampoos, soaps, and detergents, and in flavors it is used at very low levels to bring a natural green freshness; in personal care, phytol-derived ingredients function as emollients, humectants, and emulsion stabilizers, while phytol itself acts as a fragrance modifier with good oil solubility; in agriculture and crop protection, phytol and some derivatives are investigated and applied in bio-based formulations for insect-repellent, larvicidal, and antimicrobial activity; in biology and materials science, phytol serves as a lipid anchor to conjugate peptides or other biomolecules to enhance membrane affinity and to assemble liposomes or self-assembled systems, and as a reference standard and reagent in studies of chlorophyll and isoprenoid metabolism; owing to its natural origin and biodegradability, phytol is also valued as a renewable feedstock for greener supply chains and the development of environmentally friendly materials, additives, and surfactants.

  • 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

Botanical

Name CAS Botanical Proportion
Buddleia salvifolia concrete Buddleia salvifolia (River plant), fam. Loganiaceae 3.5%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.55%
Jasmine absolute 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 12.5%
Jasmine sambac (China) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 1.0%
Jasmine sambac (Malati) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 0.1%
Jasmine sambac (Sampaquita) concrete Jasminum sambac (L.) Aiton (Sampaquita), fam. Oleaceae 0.1%
Lotus flower Nelumbo nucifera L., fam. Nelumbonaceae 0.01%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 1.92%
Swangi (Citrus hystrix) leaf (Thailand) 2b Citrus hystrix DC (Swangi), fam. Rutaceae 0.01%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 2.04%
Orange leaf, sweet (Israel) 1 Citrus sinensis (L.) Osbeck, cultivar Jaffa (Shamouti), fam. Rutaceae 0.91%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 1.07%
Jasmine absolute (India) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 10.0%
Jasmine oil (India) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 6.6%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Israel) 1 Citrus reticulata Blanco, cultivar Balady, fam. Rutaceae 0.14%
Mandarin leaf (Petitgrain mandarin.) (Israel) 2 Citrus reticulata Blanco, cultivar Yussuf Effendy, fam. Rutaceae 0.19%
Mandarin leaf (Petitgrain mandarin.) (Israel) 3 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.12%
Mandarin leaf (Petitgrain mandarin.) (Israel) 4 Citrus reticulata Blanco, cultivar Maya, fam. Rutaceae 1.29%
Mandarin leaf (Petitgrain mandarin.) (Israel) 5 Citrus reticulata Blanco, cultivar Clementine, Rutaceae 0.09%
Mandarin leaf (Petitgrain mandarin.) (Israel) 6 Citrus reticulata Blanco, cultivar Michal, fam. Rutaceae 0.88%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 0.74%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Jasmine absolute (Algeria) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 8.77%
Jasmine absolute (Egypt) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 9.17%
Jasmine absolute (France) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 10.0%
Jasmine absolute (Italy) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 10.0%
Jasmine absolute (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 18.71%
Jasmine absolute (France) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 30.66%
Jasmine absolute (Italy) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 10.87%
Jasmine absolute (India) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 41.4%
Jasmine absolute (Morocco) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 13.89%
Jasmine absolute (Egypt) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 20.4%
Jasmine absolute (Egypt) 3 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 9.0%
Jasmine absolute (Japan) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 14.17%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.22%
Betel leaf Kapoori (India) 2 Piper betle L. var. Kapoori, fam. Piperaceae 0.76%
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.32%
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 1.43%
Baeckea frutescens (China) Baeckea frutescens L., fam. Myrtaceae 0.49%
Jasmine absolute (Egypt) 4 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 13.38%
Jasmine azoricum concrete Jasminum azoricum L., fam. Oleaceae 0.5%
Jasmine sambac (France) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 0.05%
Zingiber zerumbet (Vietnam) 2a stem Zingiber zerumbet (L.) Sm., fam. Zingiberaceae 7.0%
Zingiber zerumbet (Vietnam) 2b leaf Zingiber zerumbet (L.) Sm., fam. Zingiberaceae 12.6%
Zingiber zerumbet (Vietnam) 2c flower Zingiber zerumbet (L.) Sm., fam. Zingiberaceae 1.8%
Polygonum odoratum Polygonum odoratum L., fam. Polygonaceae 0.9%
Curcuma pierreana (Vietnam), 1b stem Curcuma pierreana Gagnep., fam. Zingiberaceae 2.1%
Curcuma pierreana (Vietnam), 1c leaf Curcuma pierreana Gagnep., fam. Zingiberaceae 1.4%