4,4'-Bis(4-hydroxyphenyl)valeric acid

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  • Identifiers

    CAS number
    126-00-1

    Molecular formula
    C17H18O4

    SMILES
    CC(CCC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 51.04%
    Balsamic 36.51%
    Animal 36.36%
    Odorless 33.51%
    Floral 29.99%
    Sweet 29.26%
    Spicy 28.65%
    Dry 24.64%
    Woody 24.23%
    Powdery 23.31%

     

    Flavor
    Bitter 39.44%
    Odorless 34.35%
    Mild 33.09%
    Phenolic 28.14%
    Woody 25.27%
    Herbal 22.61%
    Bland 21.89%
    Creosote 20.49%
    Heather 20.37%
    Lovage 20.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.15 (weak base)

    Molecular weight
    286.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    452°C

    Flash point

    • 237.95 ˚C est.

  • Synonyms

    • Diphenolic acid
    • 126-00-1
    • 4,4-Bis(4-hydroxyphenyl)pentanoic acid
    • 4,4-Bis(4-hydroxyphenyl)valeric acid
    • Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-
    • 2SIZ2CO5L3
    • DTXSID0022436
    • NSC-3371
    • 4-Hydroxy-gamma-(4-hydroxyphenyl)-gamma-methylbenzenebutanoic acid
    • DTXCID302436
    • 4,4'-Bis(4-hydroxyphenyl)valeric acid
    • RefChem:506561
    • 204-763-2
    • 4,4-Bis(p-hydroxyphenyl)valeric acid
    • 4,4-Bis(p-hydroxyphenyl)pentanoic acid
    • NSC 3371
    • MFCD00002800
    • NSC34824
    • Valeric acid, 4,4-bis(p-hydroxyphenyl)-
    • NSC-34824
    • Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-
    • .gamma.,.gamma.-Bis(p-hydroxyphenyl)valeric acid
    • 224963-03-5
    • Valeric acid,4-bis(p-hydroxyphenyl)-
    • CAS-126-00-1
    • EINECS 204-763-2
    • UNII-2SIZ2CO5L3
    • CCRIS 8802
    • 4,4-bis(4-hydroxyphenyl)-n-valeric acid
    • NCIStruc1_000380
    • NCIStruc2_000328
    • NCIOpen2_002054
    • Diphenolic Acid Methyl Ester
    • Oprea1_138438
    • SCHEMBL75695
    • DIPHENOLIC ACID [MI]
    • MLS001061266
    • BIDD:ER0029
    • CHEMBL1325931
    • CHEBI:34721
    • NSC3371
    • BDBM176752
    • BP_09
    • HMS3039E11
    • Benzenebutanoic acid, 4-hydroxy-|A-(4-hydroxyphenyl)-|A-methyl-
    • NCI34824
    • NSC55069
    • Tox21_202255
    • Tox21_302993
    • AC8435
    • CCG-38130
    • MSK8751-100B
    • NCGC00013399
    • NSC-55069
    • SBB009924
    • AKOS015915011
    • MSK8751-1000B
    • CS-W010019
    • EBC-611377
    • NCGC00013399-02
    • NCGC00013399-03
    • NCGC00013399-04
    • NCGC00013399-05
    • NCGC00013399-06
    • NCGC00090748-01
    • NCGC00090748-02
    • NCGC00090748-03
    • NCGC00256409-01
    • NCGC00259804-01
    • 4,4-bis(4'-hydroxyphenyl)pentanoic acid
    • 4,4-Bis(4-hydroxyphenyl) pentanoic acid
    • 4,4-bis-(4-hydroxyphenyl)pentanoic acid
    • AC-15575
    • AS-15217
    • FD158925
    • NCI60_003095
    • SMR001227195
    • ST013888
    • SY036843
    • US9688816, F
    • 4,4-Bis(4'-hydroxy-phenyl)pentanoic acid
    • CAS# 7297-85-0
    • DB-015223
    • D1274
    • NS00013607
    • 4,4-Bis(4-hydroxyphenyl)valeric acid, 95%
    • Diphenolic acid Solution in Acetone, 100ug/mL
    • Diphenolic acid Solution in Acetone, 1000ug/mL
    • EN300-18532169
    • F791022
    • Q3604519
    • .GAMMA.,.GAMMA.-BIS-(P-HYDROXYPHENYL)VALERIC ACID
    • 4-HYDROXY-.GAMMA.-(4-HYDROXYPHENYL)-.GAMMA.-METHYLBENZENEBUTANOIC ACID
    • 126-00-1

  • Applications

    4,4'-Bis(4-hydroxyphenyl)valeric acid (CAS 126-00-1) is a versatile building block in polymer chemistry: the valeric acid moiety provides opportunities for polyester or polyurethane linkages, while the two para-hydroxy groups allow post-functionalization or crosslinking of aromatic units. It is used as a precursor for high-performance polymers and specialty resins, including coatings and adhesives, where phenolic OH groups participate in curing chemistries and metal coordination. In formulated plastics, the phenolic moieties can impart antioxidant and thermal-stabilizing properties, making it valuable as an additive in polymer matrices. It is also explored as a reactive monomer or crosslinking agent for UV-curable coatings and inks, enabling enhanced adhesion and chemical resistance. Depending on the formulation and regulatory context, use may be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.91
    methanol 64.99
    isopropanol 8.15
    water 0.44
    ethyl acetate 15.06
    n-propanol 18.71
    acetone 9.95
    n-butanol 9.31
    acetonitrile 3.81
    DMF 125.01
    toluene 0.66
    isobutanol 5.32
    1,4-dioxane 18.56
    methyl acetate 14.78
    THF 93.06
    2-butanone 18.47
    n-pentanol 5.5
    sec-butanol 9.33
    n-hexane 0.04
    ethylene glycol 17.9
    NMP 90.11
    cyclohexane 0.03
    DMSO 146.15
    n-butyl acetate 8.48
    n-octanol 2.55
    chloroform 1.01
    n-propyl acetate 7.17
    acetic acid 20.08
    dichloromethane 0.95
    cyclohexanone 17.31
    propylene glycol 24.98
    isopropyl acetate 11.25
    DMAc 277.5
    2-ethoxyethanol 80.76
    isopentanol 7.89
    n-heptane 0.06
    ethyl formate 6.83
    1,2-dichloroethane 1.7
    n-hexanol 6.46
    2-methoxyethanol 159.1
    isobutyl acetate 2.95
    tetrachloromethane 0.43
    n-pentyl acetate 4.86
    transcutol 130.48
    n-heptanol 4.41
    ethylbenzene 0.79
    MIBK 8.36
    2-propoxyethanol 67.54
    tert-butanol 15.48
    MTBE 9.7
    2-butoxyethanol 23.63
    propionic acid 18.84
    o-xylene 1.19
    formic acid 40.36
    diethyl ether 4.69
    m-xylene 0.88
    p-xylene 0.82
    chlorobenzene 0.96
    dimethyl carbonate 23.58
    n-octane 0.04
    formamide 156.17
    cyclopentanone 52.57
    2-pentanone 11.86
    anisole 10.49
    cyclopentyl methyl ether 13.38
    gamma-butyrolactone 67.08
    1-methoxy-2-propanol 93.5
    pyridine 8.61
    3-pentanone 9.21
    furfural 40.98
    n-dodecane 0.05
    diethylene glycol 69.18
    diisopropyl ether 1.63
    tert-amyl alcohol 17.6
    acetylacetone 27.19
    n-hexadecane 0.06
    acetophenone 11.77
    methyl propionate 27.16
    isopentyl acetate 9.14
    trichloroethylene 4.78
    n-nonanol 2.82
    cyclohexanol 4.34
    benzyl alcohol 9.12
    2-ethylhexanol 3.49
    isooctanol 3.63
    dipropyl ether 4.56
    1,2-dichlorobenzene 2.02
    ethyl lactate 14.15
    propylene carbonate 18.95
    n-methylformamide 85.02
    2-pentanol 4.54
    n-pentane 0.03
    1-propoxy-2-propanol 31.99
    1-methoxy-2-propyl acetate 31.3
    2-(2-methoxypropoxy) propanol 30.87
    mesitylene 0.8
    ε-caprolactone 23.83
    p-cymene 1.32
    epichlorohydrin 54.04
    1,1,1-trichloroethane 1.21
    2-aminoethanol 44.95
    morpholine-4-carbaldehyde 101.99
    sulfolane 116.96
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 21.57
    n-hexyl acetate 6.76
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 40.93
    sec-butyl acetate 5.97
    tert-butyl acetate 19.23
    decalin 0.11
    glycerin 62.72
    diglyme 77.01
    acrylic acid 18.25
    isopropyl myristate 2.77
    n-butyric acid 16.76
    acetyl acetate 8.22
    di(2-ethylhexyl) phthalate 5.13
    ethyl propionate 11.04
    nitromethane 67.44
    1,2-diethoxyethane 16.34
    benzonitrile 3.19
    trioctyl phosphate 3.27
    1-bromopropane 0.41
    gamma-valerolactone 87.29
    n-decanol 1.89
    triethyl phosphate 8.19
    4-methyl-2-pentanol 3.99
    propionitrile 4.54
    vinylene carbonate 13.98
    1,1,2-trichlorotrifluoroethane 60.45
    DMS 14.54
    cumene 0.87
    2-octanol 2.0
    2-hexanone 6.05
    octyl acetate 3.68
    limonene 1.41
    1,2-dimethoxyethane 80.79
    ethyl orthosilicate 7.92
    tributyl phosphate 4.07
    diacetone alcohol 38.33
    N,N-dimethylaniline 7.98
    acrylonitrile 8.61
    aniline 4.56
    1,3-propanediol 46.93
    bromobenzene 0.66
    dibromomethane 0.38
    1,1,2,2-tetrachloroethane 6.1
    2-methyl-cyclohexyl acetate 8.5
    tetrabutyl urea 6.65
    diisobutyl methanol 2.75
    2-phenylethanol 10.45
    styrene 0.82
    dioctyl adipate 6.43
    dimethyl sulfate 61.86
    ethyl butyrate 8.31
    methyl lactate 38.64
    butyl lactate 10.68
    diethyl carbonate 7.03
    propanediol butyl ether 21.7
    triethyl orthoformate 9.35
    p-tert-butyltoluene 1.44
    methyl 4-tert-butylbenzoate 18.12
    morpholine 43.27
    tert-butylamine 3.95
    n-dodecanol 1.26
    dimethoxymethane 93.21
    ethylene carbonate 10.59
    cyrene 34.31
    2-ethoxyethyl acetate 15.61
    2-ethylhexyl acetate 6.16
    1,2,4-trichlorobenzene 3.63
    4-methylpyridine 6.01
    dibutyl ether 2.53
    2,6-dimethyl-4-heptanol 2.75
    DEF 31.0
    dimethyl isosorbide 58.36
    tetrachloroethylene 4.55
    eugenol 20.08
    triacetin 15.41
    span 80 16.98
    1,4-butanediol 11.56
    1,1-dichloroethane 0.58
    2-methyl-1-pentanol 5.9
    methyl formate 34.28
    2-methyl-1-butanol 7.82
    n-decane 0.08
    butyronitrile 2.9
    3,7-dimethyl-1-octanol 3.18
    1-chlorooctane 0.55
    1-chlorotetradecane 0.24
    n-nonane 0.05
    undecane 0.06
    tert-butylcyclohexane 0.13
    cyclooctane 0.03
    cyclopentanol 7.41
    tetrahydropyran 7.05
    tert-amyl methyl ether 11.34
    2,5,8-trioxanonane 54.9
    1-hexene 0.23
    2-isopropoxyethanol 33.8
    2,2,2-trifluoroethanol 12.06
    methyl butyrate 11.15

    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