Phytyl acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10236-16-5

    Molecular formula
    C22H42O2

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

    Retention indicies (RI)

    • DB5: 2221.0

  • Odor profile

    Floral 85.54%
    Waxy 65.85%
    Green 64.43%
    Rose 57.44%
    Sweet 53.61%
    Fruity 53.4%
    Fresh 49.26%
    Balsamic 47.39%
    Woody 45.74%
    Oily 43.4%

    Scent© AI

  • Properties

    XLogP3-AA
    8.8

    Molecular weight
    338.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    358°C

    Flash point est.
    159.2 ˚C

    Solubility expt.

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

  • Synonyms

    • Phytyl acetate
    • 10236-16-5
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, 1-acetate, (2E,7R,11R)-
    • Phytyl acetate, (E)-
    • EINECS 233-565-9
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (2E,7R,11R)-
    • 5YJX2M386O
    • [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
    • (7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate
    • TRANS-PHYTYL ACETATE
    • CHEMBL3356397
    • (E,R,R)-PHYTYL ACETATE
    • DTXSID00893616
    • 2-Hexadecen-1-ol,3,7,11,15-tetramethyl-, acetate, (R-(R*,R*-(E)))
    • FEMA NO. 4197, E-
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (R-(R*,R*-(E)))-
    • (E)-Phytyl acetate
    • (7R,11R)-TRANS-PHYTOL ACETATE
    • (R-(R*,R*-(E)))-3,7,11,15-Tetramethylhexadec-2-enyl acetate
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (theta-(theta,theta-(E)))-
    • 3,7,11,15-Tetramethyl-2-hexadecenyl Acetate
    • [R-[R*,R*-(E)]]-3,7,11,15-tetramethylhexadec-2-enyl acetate
    • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, [R-[R*,R*-(E)]]-
    • UNII-5YJX2M386O
    • ((E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl) acetate
    • 18LPS1IF8H
    • (E,Z)-PHYTYL ACETATE
    • PHYTYL ACETATE [FHFI]
    • SCHEMBL4990812
    • FEMA NO. 4197
    • JIGCTXHIECXYRJ-ILWBRPEASA-N
    • DTXCID401323645
    • KAA23616
    • BDBM50041413
    • AKOS025293976
    • AS-77017
    • Q27263062
    • (7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-ylacetate
    • (2E,7R,11R)-3,7,11,15-TETRAMETHYLHEXADEC-2-EN-1-YL ACETATE

  • Applications

    Phytyl Acetate (CAS 10236-16-5) is a phytol-derived ester valued in fragrance and flavor industries for its fresh leafy-green, slightly fruity odor that imparts a natural, outdoors nuance; it is blended into fine perfumes, scented soaps, deodorants, candles and diffusers, extends the longevity of aromas in shampoos, conditioners and skin creams, and acts as a flavoring agent lending grassy back notes to chewing gum, gummies and non-alcoholic beverages; the molecule is also employed as a versatile intermediate for synthesizing α-tocopherol (vitamin E) and other phytyl derivatives used in nutraceuticals, and serves as an internal standard or reference material in biochemical studies of chlorophyll degradation pathways, demonstrating its wide applicability across industrial manufacturing, food supplements and laboratory research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 458.79
    methanol 247.43
    isopropanol 405.3
    water 0.02
    ethyl acetate 753.18
    n-propanol 410.89
    acetone 417.21
    n-butanol 456.6
    acetonitrile 120.42
    DMF 237.66
    toluene 306.97
    isobutanol 318.99
    1,4-dioxane 1112.81
    methyl acetate 327.86
    THF 1926.83
    2-butanone 587.56
    n-pentanol 415.43
    sec-butanol 463.46
    n-hexane 126.07
    ethylene glycol 5.61
    NMP 433.89
    cyclohexane 290.7
    DMSO 292.57
    n-butyl acetate 669.72
    n-octanol 225.54
    chloroform 1123.11
    n-propyl acetate 720.96
    acetic acid 147.45
    dichloromethane 976.79
    cyclohexanone 1066.71
    propylene glycol 36.47
    isopropyl acetate 649.61
    DMAc 518.47
    2-ethoxyethanol 514.54
    isopentanol 487.36
    n-heptane 87.5
    ethyl formate 208.46
    1,2-dichloroethane 609.94
    n-hexanol 372.03
    2-methoxyethanol 458.68
    isobutyl acetate 490.55
    tetrachloromethane 205.73
    n-pentyl acetate 634.79
    transcutol 2538.63
    n-heptanol 232.63
    ethylbenzene 230.49
    MIBK 541.37
    2-propoxyethanol 570.16
    tert-butanol 587.68
    MTBE 1044.73
    2-butoxyethanol 466.52
    propionic acid 146.43
    o-xylene 211.83
    formic acid 19.51
    diethyl ether 910.33
    m-xylene 224.07
    p-xylene 287.48
    chlorobenzene 324.5
    dimethyl carbonate 60.75
    n-octane 31.74
    formamide 38.65
    cyclopentanone 757.28
    2-pentanone 632.44
    anisole 431.54
    cyclopentyl methyl ether 944.44
    gamma-butyrolactone 577.57
    1-methoxy-2-propanol 515.02
    pyridine 536.07
    3-pentanone 403.43
    furfural 419.51
    n-dodecane 16.4
    diethylene glycol 149.34
    diisopropyl ether 334.32
    tert-amyl alcohol 610.95
    acetylacetone 534.24
    n-hexadecane 19.9
    acetophenone 387.69
    methyl propionate 333.86
    isopentyl acetate 736.04
    trichloroethylene 919.71
    n-nonanol 226.94
    cyclohexanol 526.66
    benzyl alcohol 252.92
    2-ethylhexanol 341.07
    isooctanol 245.82
    dipropyl ether 607.03
    1,2-dichlorobenzene 328.28
    ethyl lactate 174.88
    propylene carbonate 387.91
    n-methylformamide 90.64
    2-pentanol 370.57
    n-pentane 76.41
    1-propoxy-2-propanol 597.7
    1-methoxy-2-propyl acetate 659.08
    2-(2-methoxypropoxy) propanol 476.89
    mesitylene 169.47
    ε-caprolactone 949.25
    p-cymene 165.14
    epichlorohydrin 956.31
    1,1,1-trichloroethane 695.48
    2-aminoethanol 51.0
    morpholine-4-carbaldehyde 657.57
    sulfolane 625.46
    2,2,4-trimethylpentane 66.38
    2-methyltetrahydrofuran 1606.22
    n-hexyl acetate 754.1
    isooctane 46.6
    2-(2-butoxyethoxy)ethanol 685.74
    sec-butyl acetate 635.55
    tert-butyl acetate 799.93
    decalin 109.74
    glycerin 43.53
    diglyme 1361.72
    acrylic acid 60.19
    isopropyl myristate 238.12
    n-butyric acid 535.07
    acetyl acetate 302.98
    di(2-ethylhexyl) phthalate 185.82
    ethyl propionate 515.49
    nitromethane 243.03
    1,2-diethoxyethane 1117.37
    benzonitrile 265.7
    trioctyl phosphate 123.68
    1-bromopropane 563.31
    gamma-valerolactone 1168.91
    n-decanol 144.18
    triethyl phosphate 226.68
    4-methyl-2-pentanol 271.38
    propionitrile 186.49
    vinylene carbonate 253.31
    1,1,2-trichlorotrifluoroethane 410.2
    DMS 251.32
    cumene 173.38
    2-octanol 204.18
    2-hexanone 682.43
    octyl acetate 283.0
    limonene 325.82
    1,2-dimethoxyethane 1120.9
    ethyl orthosilicate 279.49
    tributyl phosphate 159.89
    diacetone alcohol 592.97
    N,N-dimethylaniline 293.04
    acrylonitrile 116.59
    aniline 262.21
    1,3-propanediol 154.82
    bromobenzene 364.48
    dibromomethane 690.32
    1,1,2,2-tetrachloroethane 944.94
    2-methyl-cyclohexyl acetate 539.14
    tetrabutyl urea 225.97
    diisobutyl methanol 223.08
    2-phenylethanol 282.19
    styrene 236.88
    dioctyl adipate 356.1
    dimethyl sulfate 93.82
    ethyl butyrate 615.64
    methyl lactate 98.65
    butyl lactate 353.96
    diethyl carbonate 281.36
    propanediol butyl ether 320.92
    triethyl orthoformate 517.81
    p-tert-butyltoluene 164.96
    methyl 4-tert-butylbenzoate 396.49
    morpholine 1528.46
    tert-butylamine 407.47
    n-dodecanol 98.92
    dimethoxymethane 361.04
    ethylene carbonate 284.6
    cyrene 337.85
    2-ethoxyethyl acetate 711.59
    2-ethylhexyl acetate 608.44
    1,2,4-trichlorobenzene 378.93
    4-methylpyridine 636.91
    dibutyl ether 611.29
    2,6-dimethyl-4-heptanol 223.08
    DEF 611.43
    dimethyl isosorbide 813.27
    tetrachloroethylene 554.69
    eugenol 317.0
    triacetin 540.61
    span 80 425.66
    1,4-butanediol 60.15
    1,1-dichloroethane 648.63
    2-methyl-1-pentanol 469.71
    methyl formate 52.52
    2-methyl-1-butanol 423.57
    n-decane 43.06
    butyronitrile 348.2
    3,7-dimethyl-1-octanol 290.31
    1-chlorooctane 207.51
    1-chlorotetradecane 59.76
    n-nonane 42.3
    undecane 24.22
    tert-butylcyclohexane 101.38
    cyclooctane 73.09
    cyclopentanol 368.11
    tetrahydropyran 1917.86
    tert-amyl methyl ether 720.21
    2,5,8-trioxanonane 776.1
    1-hexene 378.12
    2-isopropoxyethanol 468.99
    2,2,2-trifluoroethanol 34.03
    methyl butyrate 685.01

    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
Jasmine absolute (Algeria) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 7.9%
Jasmine absolute (Egypt) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 9.0%
Jasmine absolute (France) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 10.25%
Jasmine absolute (Italy) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 7.98%
Jasmine absolute (Egypt) 3 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 10.0%
Jasmine absolute (Japan) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.5%
Jasmine absolute (Egypt) 4 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 11.0%
Croton jimenezii (Costa Rica) Croton jimenezii Standl. et Valerio, fam. Euphorbiaceae 0.5%