Perlatolinic acid

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  • Identifiers

    CAS number
    529-47-5

    Molecular formula
    C25H32O7

    SMILES
    CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC

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  • Odor profile

    Fragrance
    Floral 42.54%
    Balsamic 39.32%
    Odorless 38.11%
    Woody 33.5%
    Phenolic 32.67%
    Sweet 32.63%
    Spicy 32.11%
    Animal 28.72%
    Dry 25.01%
    Herbal 24.18%

     

    Flavor
    Bitter 48.06%
    Odorless 35.41%
    Bland 32.98%
    Mild 26.78%
    Lovage 21.1%
    Parsley 21.01%
    Cedarleaf 20.98%
    Woody 20.95%
    Herbal 20.66%
    Thymol 20.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    6.96 (neutral)

    Molecular weight
    444.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    573°C

    Flash point

    • 234.65 ˚C est.

  • Synonyms

    • Perlatolinic acid
    • 529-47-5
    • DTXSID60200943
    • RefChem:928863
    • DTXCID90123434
    • 4-(2-hydroxy-6-pentyl-p-anisate)-6-pentyl-beta-resorcylic acid
    • Perlatolic acid
    • NSC646002
    • CHEMBL2006643
    • 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-6-pentylbenzoic acid
    • 2-Hydroxy-4-((2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy)-6-pentylbenzoic acid
    • 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid
    • CHEBI:144187
    • BDBM50369679
    • NSC-646002
    • NCI60_015815
    • 4-(2-hydroxy-6-pentyl-p-anisate) -6-pentyl-beta-resorcylic acid
    • beta-Resorcylic acid, 6-pentyl-, 4-(2-hydroxy-6-pentyl-p-anisate)
    • 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-benzoyl)oxy-6-pentyl-benzoic acid
    • 529-47-5

  • Applications

    Perlatolinic acid (CAS 529-47-5) is primarily considered as an intermediate in organic synthesis, providing a versatile building block for the preparation of specialty chemicals. In industrial contexts it may serve as a precursor for polymers and as a crosslinking or functionalization agent in coatings and adhesives. It can act as a chelating agent or processing aid in cleaning formulations, helping to sequester metal ions and improve formulation stability. It is also evaluated for use as a pH adjuster or acidulant in cosmetic and personal care formulations, and may be explored as a processing aid or stabilizer in plastics or other polymer systems under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 117.96
    methanol 173.2
    isopropanol 76.55
    water 0.18
    ethyl acetate 88.05
    n-propanol 112.18
    acetone 343.39
    n-butanol 71.83
    acetonitrile 63.3
    DMF 875.16
    toluene 30.56
    isobutanol 65.0
    1,4-dioxane 119.13
    methyl acetate 124.06
    THF 664.13
    2-butanone 193.15
    n-pentanol 49.43
    sec-butanol 64.09
    n-hexane 1.06
    ethylene glycol 69.84
    NMP 1308.49
    cyclohexane 1.73
    DMSO 1485.87
    n-butyl acetate 44.7
    n-octanol 8.76
    chloroform 188.0
    n-propyl acetate 51.18
    acetic acid 360.15
    dichloromethane 209.48
    cyclohexanone 281.88
    propylene glycol 160.14
    isopropyl acetate 59.04
    DMAc 873.39
    2-ethoxyethanol 144.56
    isopentanol 48.79
    n-heptane 0.54
    ethyl formate 60.12
    1,2-dichloroethane 180.65
    n-hexanol 22.32
    2-methoxyethanol 422.08
    isobutyl acetate 31.89
    tetrachloromethane 20.06
    n-pentyl acetate 38.06
    transcutol 255.84
    n-heptanol 13.4
    ethylbenzene 9.81
    MIBK 65.1
    2-propoxyethanol 141.15
    tert-butanol 77.52
    MTBE 33.73
    2-butoxyethanol 64.24
    propionic acid 189.56
    o-xylene 17.35
    formic acid 174.66
    diethyl ether 30.35
    m-xylene 18.28
    p-xylene 14.99
    chlorobenzene 55.86
    dimethyl carbonate 146.83
    n-octane 0.32
    formamide 278.44
    cyclopentanone 610.05
    2-pentanone 126.98
    anisole 34.66
    cyclopentyl methyl ether 115.68
    gamma-butyrolactone 725.77
    1-methoxy-2-propanol 307.65
    pyridine 164.46
    3-pentanone 107.19
    furfural 350.62
    n-dodecane 0.36
    diethylene glycol 146.85
    diisopropyl ether 7.38
    tert-amyl alcohol 60.4
    acetylacetone 236.96
    n-hexadecane 0.42
    acetophenone 69.04
    methyl propionate 155.45
    isopentyl acetate 42.64
    trichloroethylene 390.62
    n-nonanol 9.68
    cyclohexanol 64.62
    benzyl alcohol 65.53
    2-ethylhexanol 12.2
    isooctanol 12.08
    dipropyl ether 15.7
    1,2-dichlorobenzene 51.14
    ethyl lactate 62.69
    propylene carbonate 235.82
    n-methylformamide 373.07
    2-pentanol 34.66
    n-pentane 1.2
    1-propoxy-2-propanol 89.44
    1-methoxy-2-propyl acetate 112.5
    2-(2-methoxypropoxy) propanol 81.42
    mesitylene 9.52
    ε-caprolactone 248.82
    p-cymene 6.29
    epichlorohydrin 646.26
    1,1,1-trichloroethane 123.92
    2-aminoethanol 152.3
    morpholine-4-carbaldehyde 515.54
    sulfolane 1528.52
    2,2,4-trimethylpentane 1.0
    2-methyltetrahydrofuran 194.01
    n-hexyl acetate 38.88
    isooctane 0.67
    2-(2-butoxyethoxy)ethanol 95.35
    sec-butyl acetate 35.13
    tert-butyl acetate 79.64
    decalin 1.36
    glycerin 271.57
    diglyme 148.32
    acrylic acid 216.16
    isopropyl myristate 14.85
    n-butyric acid 162.81
    acetyl acetate 76.99
    di(2-ethylhexyl) phthalate 29.15
    ethyl propionate 52.13
    nitromethane 572.98
    1,2-diethoxyethane 44.36
    benzonitrile 48.32
    trioctyl phosphate 19.36
    1-bromopropane 49.29
    gamma-valerolactone 720.97
    n-decanol 7.12
    triethyl phosphate 29.49
    4-methyl-2-pentanol 18.83
    propionitrile 59.09
    vinylene carbonate 169.93
    1,1,2-trichlorotrifluoroethane 530.15
    DMS 88.87
    cumene 7.12
    2-octanol 7.97
    2-hexanone 60.92
    octyl acetate 22.36
    limonene 9.88
    1,2-dimethoxyethane 144.27
    ethyl orthosilicate 24.54
    tributyl phosphate 24.84
    diacetone alcohol 161.52
    N,N-dimethylaniline 30.35
    acrylonitrile 107.39
    aniline 75.68
    1,3-propanediol 173.99
    bromobenzene 46.41
    dibromomethane 100.49
    1,1,2,2-tetrachloroethane 302.21
    2-methyl-cyclohexyl acetate 42.4
    tetrabutyl urea 38.67
    diisobutyl methanol 8.51
    2-phenylethanol 44.34
    styrene 12.57
    dioctyl adipate 37.18
    dimethyl sulfate 410.98
    ethyl butyrate 38.5
    methyl lactate 198.48
    butyl lactate 58.94
    diethyl carbonate 27.17
    propanediol butyl ether 67.31
    triethyl orthoformate 32.78
    p-tert-butyltoluene 6.82
    methyl 4-tert-butylbenzoate 78.21
    morpholine 231.67
    tert-butylamine 24.09
    n-dodecanol 5.2
    dimethoxymethane 346.28
    ethylene carbonate 130.2
    cyrene 159.1
    2-ethoxyethyl acetate 73.78
    2-ethylhexyl acetate 30.33
    1,2,4-trichlorobenzene 91.12
    4-methylpyridine 137.44
    dibutyl ether 9.54
    2,6-dimethyl-4-heptanol 8.51
    DEF 185.77
    dimethyl isosorbide 190.26
    tetrachloroethylene 149.93
    eugenol 66.18
    triacetin 87.8
    span 80 73.84
    1,4-butanediol 56.27
    1,1-dichloroethane 123.1
    2-methyl-1-pentanol 38.01
    methyl formate 236.42
    2-methyl-1-butanol 55.67
    n-decane 0.54
    butyronitrile 44.87
    3,7-dimethyl-1-octanol 11.5
    1-chlorooctane 4.82
    1-chlorotetradecane 2.16
    n-nonane 0.43
    undecane 0.43
    tert-butylcyclohexane 1.11
    cyclooctane 0.59
    cyclopentanol 132.8
    tetrahydropyran 95.98
    tert-amyl methyl ether 33.56
    2,5,8-trioxanonane 116.15
    1-hexene 6.56
    2-isopropoxyethanol 76.07
    2,2,2-trifluoroethanol 138.1
    methyl butyrate 70.02

    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