2-Hydroxy-6-(8Z,11Z)-8,11,14-pentadecatrien-1-ylbenzoic acid

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  • Identifiers

    CAS number
    103904-73-0

    Molecular formula
    C22H30O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 59.83%
    Oily 43.6%
    Waxy 42.81%
    Sweet 34.96%
    Balsamic 33.23%
    Woody 32.61%
    Green 29.07%
    Spicy 28.78%
    Floral 28.74%
    Citrus 26.6%

     

    Flavor
    Woody 25.22%
    Faint 24.84%
    Fatty 21.56%
    Oriental 20.74%
    Diterpene 20.58%
    Terpentine 20.43%
    Low 20.37%
    Herbal 19.79%
    Delicate 19.75%
    Slightly waxy 19.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    6.88 (neutral)

    Molecular weight
    342.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    445°C

    Flash point

    • 239.91 ˚C est.

  • Synonyms

    • 2-Hydroxy-6-(8Z,11Z)-8,11,14-pentadecatrien-1-ylbenzoic acid
    • RefChem:473302
    • 103904-73-0
    • Anacardic acid triene
    • (15:3)-Anacardic acid
    • 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid
    • CHEMBL455368
    • 2-Hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid
    • 2-hydroxy-6-(8Z,11Z)-8,11,14-pentadecatrien-1-yl-benzoicacid
    • 2-Hydroxy-6-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)benzoic acid
    • F5X3PZ4LDA
    • 8,11,14-Anacardic acid
    • 2-hydroxy-6-((8Z,11Z)-pentadeca-8,11,14-trienyl)benzoic acid
    • NSC-638512
    • Salicylic acid, 6-(8,11,14-pentadecatrienyl)-
    • Benzoic acid, 2-hydroxy-6-(8,11,14-pentadecatrienyl)-
    • MEGxp0_000812
    • orb1990470
    • SCHEMBL4142096
    • 6-Pentadecatrienylsalicylic Acid
    • ACon1_001118
    • DTXSID70872877
    • CHEBI:183726
    • 2-Pentadecyl-6-hydroxybenzoic acid
    • BDBM50292429
    • EX-A15072
    • LMPK15040001
    • MFCD24849320
    • AKOS040736422
    • NCGC00169660-01
    • NCGC00169660-02
    • HY-126738
    • Q527648
    • (15:3)-Anacardic acid, >=85% (LC/MS-ELSD)
    • BRD-K93380348-001-01-8
    • 2-Hydroxy-6-(8,11,14-pentadecatrien-1-yl)benzoic acid
    • 6[8''(Z ),11''(Z ),14''-pentadecatrienyl]salicylicacid
    • Benzoic acid, 2-hydroxy-6-(8,11,14-pentadecatrien-1-yl)-
    • Benzoic acid, 2-hydroxy-6-(8Z,11Z)-8,11,14-pentadecatrien-1-yl-
    • 103904-73-0

  • Applications

    2-Hydroxy-6-(8Z,11Z)-8,11,14-pentadecatrien-1-ylbenzoic acid (CAS 103904-73-0) is a lipophilic benzoic acid derivative bearing an ortho hydroxy group and a long terpenoid side chain. In industry it is typically used as an intermediate in fragrance chemistry and as a building block for synthesizing more complex aroma compounds. It may serve as a fragrance ingredient itself or contribute to fixation or release properties in perfumery. In cosmetics and personal care, it can be employed as a fragrance component or scent-modifier; in household products, as a fragrance additive; in polymers/plastics and coatings/inks, as a specialty monomer or additive to impart fragrance features or enable fragrance release. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1251.65
    methanol 1117.29
    isopropanol 718.25
    water 0.09
    ethyl acetate 322.4
    n-propanol 946.5
    acetone 1418.46
    n-butanol 614.93
    acetonitrile 162.54
    DMF 1766.0
    toluene 149.7
    isobutanol 505.73
    1,4-dioxane 560.09
    methyl acetate 293.39
    THF 2917.07
    2-butanone 784.49
    n-pentanol 328.28
    sec-butanol 549.42
    n-hexane 12.33
    ethylene glycol 62.74
    NMP 1195.12
    cyclohexane 28.21
    DMSO 3228.93
    n-butyl acetate 173.18
    n-octanol 55.23
    chloroform 358.18
    n-propyl acetate 186.02
    acetic acid 322.27
    dichloromethane 466.55
    cyclohexanone 991.41
    propylene glycol 230.31
    isopropyl acetate 208.7
    DMAc 1206.87
    2-ethoxyethanol 466.15
    isopentanol 389.83
    n-heptane 5.65
    ethyl formate 172.56
    1,2-dichloroethane 629.43
    n-hexanol 192.51
    2-methoxyethanol 1151.16
    isobutyl acetate 118.41
    tetrachloromethane 52.72
    n-pentyl acetate 124.99
    transcutol 823.5
    n-heptanol 79.83
    ethylbenzene 53.9
    MIBK 303.66
    2-propoxyethanol 416.55
    tert-butanol 536.65
    MTBE 349.98
    2-butoxyethanol 207.72
    propionic acid 290.68
    o-xylene 80.21
    formic acid 103.28
    diethyl ether 359.11
    m-xylene 88.54
    p-xylene 60.85
    chlorobenzene 156.13
    dimethyl carbonate 140.53
    n-octane 3.24
    formamide 250.66
    cyclopentanone 1577.41
    2-pentanone 670.54
    anisole 145.89
    cyclopentyl methyl ether 670.79
    gamma-butyrolactone 1079.3
    1-methoxy-2-propanol 878.57
    pyridine 501.91
    3-pentanone 357.86
    furfural 423.45
    n-dodecane 3.21
    diethylene glycol 226.33
    diisopropyl ether 66.2
    tert-amyl alcohol 397.72
    acetylacetone 517.52
    n-hexadecane 3.77
    acetophenone 155.7
    methyl propionate 360.78
    isopentyl acetate 168.27
    trichloroethylene 687.45
    n-nonanol 55.21
    cyclohexanol 459.65
    benzyl alcohol 171.77
    2-ethylhexanol 85.24
    isooctanol 69.48
    dipropyl ether 106.81
    1,2-dichlorobenzene 115.55
    ethyl lactate 105.23
    propylene carbonate 323.19
    n-methylformamide 603.49
    2-pentanol 300.11
    n-pentane 14.61
    1-propoxy-2-propanol 259.2
    1-methoxy-2-propyl acetate 245.92
    2-(2-methoxypropoxy) propanol 163.55
    mesitylene 46.64
    ε-caprolactone 553.06
    p-cymene 30.9
    epichlorohydrin 1353.39
    1,1,1-trichloroethane 280.95
    2-aminoethanol 336.4
    morpholine-4-carbaldehyde 635.31
    sulfolane 1586.41
    2,2,4-trimethylpentane 11.9
    2-methyltetrahydrofuran 1192.72
    n-hexyl acetate 141.7
    isooctane 8.39
    2-(2-butoxyethoxy)ethanol 257.59
    sec-butyl acetate 121.4
    tert-butyl acetate 257.79
    decalin 13.91
    glycerin 222.45
    diglyme 449.95
    acrylic acid 174.51
    isopropyl myristate 52.55
    n-butyric acid 475.19
    acetyl acetate 124.94
    di(2-ethylhexyl) phthalate 55.4
    ethyl propionate 143.19
    nitromethane 575.29
    1,2-diethoxyethane 221.72
    benzonitrile 122.04
    trioctyl phosphate 45.41
    1-bromopropane 305.84
    gamma-valerolactone 1294.11
    n-decanol 40.49
    triethyl phosphate 56.02
    4-methyl-2-pentanol 131.35
    propionitrile 191.13
    vinylene carbonate 201.1
    1,1,2-trichlorotrifluoroethane 521.25
    DMS 124.41
    cumene 36.09
    2-octanol 48.05
    2-hexanone 269.56
    octyl acetate 70.73
    limonene 58.92
    1,2-dimethoxyethane 554.45
    ethyl orthosilicate 58.44
    tributyl phosphate 52.82
    diacetone alcohol 427.4
    N,N-dimethylaniline 103.48
    acrylonitrile 199.36
    aniline 259.15
    1,3-propanediol 515.52
    bromobenzene 132.1
    dibromomethane 310.13
    1,1,2,2-tetrachloroethane 605.07
    2-methyl-cyclohexyl acetate 110.68
    tetrabutyl urea 86.54
    diisobutyl methanol 51.09
    2-phenylethanol 136.12
    styrene 68.23
    dioctyl adipate 90.56
    dimethyl sulfate 292.97
    ethyl butyrate 116.59
    methyl lactate 219.65
    butyl lactate 124.75
    diethyl carbonate 63.42
    propanediol butyl ether 175.67
    triethyl orthoformate 83.58
    p-tert-butyltoluene 31.38
    methyl 4-tert-butylbenzoate 143.08
    morpholine 1251.57
    tert-butylamine 249.88
    n-dodecanol 29.61
    dimethoxymethane 964.91
    ethylene carbonate 202.21
    cyrene 190.47
    2-ethoxyethyl acetate 185.98
    2-ethylhexyl acetate 117.24
    1,2,4-trichlorobenzene 153.38
    4-methylpyridine 403.42
    dibutyl ether 75.63
    2,6-dimethyl-4-heptanol 51.09
    DEF 504.56
    dimethyl isosorbide 321.49
    tetrachloroethylene 330.35
    eugenol 129.55
    triacetin 134.28
    span 80 143.27
    1,4-butanediol 134.89
    1,1-dichloroethane 407.66
    2-methyl-1-pentanol 231.58
    methyl formate 291.93
    2-methyl-1-butanol 402.91
    n-decane 5.28
    butyronitrile 252.82
    3,7-dimethyl-1-octanol 65.6
    1-chlorooctane 33.17
    1-chlorotetradecane 13.53
    n-nonane 4.38
    undecane 4.0
    tert-butylcyclohexane 11.19
    cyclooctane 6.4
    cyclopentanol 655.0
    tetrahydropyran 1082.26
    tert-amyl methyl ether 239.5
    2,5,8-trioxanonane 278.12
    1-hexene 72.77
    2-isopropoxyethanol 265.66
    2,2,2-trifluoroethanol 77.85
    methyl butyrate 220.43

    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