3-(8Z,11Z)-8,11-Pentadecadien-1-ylphenol

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  • Identifiers

    CAS number
    51546-63-5

    Molecular formula
    C21H32O

    SMILES
    CCC/C=C\C/C=C\CCCCCCCC1=CC(=CC=C1)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 52.27%
    Waxy 47.57%
    Oily 47.53%
    Balsamic 30.38%
    Spicy 28.19%
    Herbal 25.64%
    Woody 25.35%
    Green 24.65%
    Sweet 23.33%
    Meaty 22.5%

     

    Flavor
    Diterpene 19.81%
    Low 19.65%
    Faint 19.64%
    Oriental 19.59%
    Delicate 19.54%
    Terpentine 19.23%
    Slightly waxy 18.91%
    Opoponax 18.55%
    Nitrile 18.18%
    Skunky 18.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    8.92 (weak base)

    Molecular weight
    300.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    384°C

    Flash point

    • 196.97 ˚C est.

  • Synonyms

    • Cardanol diene
    • 51546-63-5
    • R5UNJ6B02F
    • 3-(8(Z),11(Z)-Pentadecadienyl)phenol
    • 3-((8Z,11Z)-pentadeca-8,11-dienyl)phenol
    • 3-[(8Z,11Z)-pentadeca-8,11-dienyl]phenol
    • 3-(8Z,11Z)-8,11-PENTADECADIEN-1-YLPHENOL
    • RefChem:1066951
    • CHEMBL470887
    • 3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)phenol
    • 3-8Z,11Z-pentadecadien-1-yl-phenol
    • 3-[(8Z,11Z)-Pentadeca-8,11-dien-1-yl]phenol
    • UNII-R5UNJ6B02F
    • orb1737681
    • SCHEMBL2293234
    • DTXSID90872879
    • FAYVLNWNMNHXGA-UTOQUPLUSA-N
    • BDBM50292427
    • LMPK15010009
    • 5-{8(Z),11(Z)-Pentadecadienyl}Phenol
    • HY-121374
    • CS-0081821
    • Phenol, 3-(8,11-pentadecadienyl)-, (Z,Z)-
    • Q27896124
    • PHENOL, 3-(8Z,11Z)-8,11-PENTADECADIEN-1-YL-
    • 51546-63-5

  • Applications

    3-(8Z,11Z)-8,11-Pentadecadien-1-ylphenol (CAS 51546-63-5) is a long-chain phenol typically used as an odorant and fragrance fixative in perfumery and cosmetics; it may serve as an intermediate in fragrance synthesis and can be considered a specialty additive for polymers/plastics and coatings/inks, with potential use in household products to impart fragrance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4759.55
    methanol 2140.68
    isopropanol 3366.8
    water 0.01
    ethyl acetate 3827.81
    n-propanol 3827.32
    acetone 6243.58
    n-butanol 3020.37
    acetonitrile 1044.73
    DMF 1966.39
    toluene 897.74
    isobutanol 2127.69
    1,4-dioxane 4020.09
    methyl acetate 1961.21
    THF 8601.05
    2-butanone 4243.57
    n-pentanol 1491.7
    sec-butanol 2597.53
    n-hexane 387.13
    ethylene glycol 38.74
    NMP 958.65
    cyclohexane 979.01
    DMSO 3600.02
    n-butyl acetate 2054.48
    n-octanol 324.95
    chloroform 2848.26
    n-propyl acetate 2111.61
    acetic acid 594.22
    dichloromethane 3797.45
    cyclohexanone 3596.28
    propylene glycol 172.75
    isopropyl acetate 2255.7
    DMAc 1779.7
    2-ethoxyethanol 1625.5
    isopentanol 2059.05
    n-heptane 224.31
    ethyl formate 963.41
    1,2-dichloroethane 3895.03
    n-hexanol 1183.87
    2-methoxyethanol 2589.22
    isobutyl acetate 1131.98
    tetrachloromethane 517.04
    n-pentyl acetate 1116.6
    transcutol 5218.4
    n-heptanol 402.41
    ethylbenzene 359.24
    MIBK 1950.17
    2-propoxyethanol 1728.42
    tert-butanol 2792.18
    MTBE 5788.93
    2-butoxyethanol 848.76
    propionic acid 663.09
    o-xylene 361.94
    formic acid 59.64
    diethyl ether 8557.21
    m-xylene 441.44
    p-xylene 380.2
    chlorobenzene 772.58
    dimethyl carbonate 370.41
    n-octane 71.54
    formamide 173.43
    cyclopentanone 3134.57
    2-pentanone 4378.91
    anisole 827.72
    cyclopentyl methyl ether 3017.08
    gamma-butyrolactone 1900.31
    1-methoxy-2-propanol 2081.89
    pyridine 2226.52
    3-pentanone 2186.47
    furfural 860.98
    n-dodecane 34.11
    diethylene glycol 430.74
    diisopropyl ether 1242.6
    tert-amyl alcohol 2064.93
    acetylacetone 2316.57
    n-hexadecane 41.24
    acetophenone 627.2
    methyl propionate 1882.23
    isopentyl acetate 1711.0
    trichloroethylene 3600.48
    n-nonanol 315.05
    cyclohexanol 1565.91
    benzyl alcohol 466.92
    2-ethylhexanol 666.07
    isooctanol 396.52
    dipropyl ether 2430.62
    1,2-dichlorobenzene 600.61
    ethyl lactate 334.95
    propylene carbonate 878.43
    n-methylformamide 771.1
    2-pentanol 1889.74
    n-pentane 400.8
    1-propoxy-2-propanol 1486.22
    1-methoxy-2-propyl acetate 1452.87
    2-(2-methoxypropoxy) propanol 554.04
    mesitylene 262.57
    ε-caprolactone 2192.13
    p-cymene 209.29
    epichlorohydrin 4037.69
    1,1,1-trichloroethane 2335.06
    2-aminoethanol 307.48
    morpholine-4-carbaldehyde 1230.75
    sulfolane 1926.94
    2,2,4-trimethylpentane 129.51
    2-methyltetrahydrofuran 5804.9
    n-hexyl acetate 1088.58
    isooctane 115.82
    2-(2-butoxyethoxy)ethanol 1018.46
    sec-butyl acetate 1290.28
    tert-butyl acetate 2118.39
    decalin 168.19
    glycerin 154.27
    diglyme 2226.24
    acrylic acid 241.43
    isopropyl myristate 356.09
    n-butyric acid 2108.2
    acetyl acetate 942.28
    di(2-ethylhexyl) phthalate 199.0
    ethyl propionate 1464.01
    nitromethane 1360.99
    1,2-diethoxyethane 3319.98
    benzonitrile 506.28
    trioctyl phosphate 173.91
    1-bromopropane 3409.91
    gamma-valerolactone 3088.66
    n-decanol 209.51
    triethyl phosphate 329.98
    4-methyl-2-pentanol 741.64
    propionitrile 1212.24
    vinylene carbonate 572.65
    1,1,2-trichlorotrifluoroethane 1056.81
    DMS 523.94
    cumene 211.99
    2-octanol 292.85
    2-hexanone 2078.38
    octyl acetate 410.57
    limonene 477.89
    1,2-dimethoxyethane 3569.73
    ethyl orthosilicate 387.22
    tributyl phosphate 238.14
    diacetone alcohol 1531.42
    N,N-dimethylaniline 408.95
    acrylonitrile 758.39
    aniline 774.15
    1,3-propanediol 811.94
    bromobenzene 866.16
    dibromomethane 2728.36
    1,1,2,2-tetrachloroethane 3098.47
    2-methyl-cyclohexyl acetate 702.61
    tetrabutyl urea 324.2
    diisobutyl methanol 404.78
    2-phenylethanol 493.0
    styrene 489.78
    dioctyl adipate 457.03
    dimethyl sulfate 442.72
    ethyl butyrate 1478.81
    methyl lactate 356.48
    butyl lactate 554.2
    diethyl carbonate 616.47
    propanediol butyl ether 492.51
    triethyl orthoformate 836.51
    p-tert-butyltoluene 205.39
    methyl 4-tert-butylbenzoate 475.32
    morpholine 6112.67
    tert-butylamine 1847.78
    n-dodecanol 153.56
    dimethoxymethane 3241.29
    ethylene carbonate 701.94
    cyrene 369.92
    2-ethoxyethyl acetate 1351.66
    2-ethylhexyl acetate 1180.15
    1,2,4-trichlorobenzene 641.58
    4-methylpyridine 1926.89
    dibutyl ether 1382.39
    2,6-dimethyl-4-heptanol 404.78
    DEF 2456.58
    dimethyl isosorbide 955.55
    tetrachloroethylene 1712.34
    eugenol 386.48
    triacetin 690.05
    span 80 466.71
    1,4-butanediol 186.17
    1,1-dichloroethane 3537.16
    2-methyl-1-pentanol 1101.77
    methyl formate 413.04
    2-methyl-1-butanol 1852.08
    n-decane 77.27
    butyronitrile 2057.54
    3,7-dimethyl-1-octanol 421.44
    1-chlorooctane 354.15
    1-chlorotetradecane 101.41
    n-nonane 83.27
    undecane 47.64
    tert-butylcyclohexane 144.66
    cyclooctane 176.47
    cyclopentanol 1306.24
    tetrahydropyran 9372.46
    tert-amyl methyl ether 2458.89
    2,5,8-trioxanonane 1075.21
    1-hexene 1442.93
    2-isopropoxyethanol 1137.04
    2,2,2-trifluoroethanol 88.53
    methyl butyrate 2048.02

    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