Resorcinol, monobenzoate

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  • Identifiers

    CAS number
    136-36-7

    Molecular formula
    C13H10O3

    SMILES
    C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 64.85%
    Balsamic 53.6%
    Floral 41.57%
    Fruity 39.85%
    Medicinal 35.09%
    Animal 33.58%
    Aromatic 33.49%
    Sweet 33.23%
    Honey 32.24%
    Woody 32.2%

     

    Flavor
    Bitter 49.57%
    Balsam 43.12%
    Phenolic 33.89%
    Wintergreen 31.12%
    Sweet 30.69%
    Herbal 30.3%
    Odorless 29.17%
    Faint 28.56%
    Balsamic 28.17%
    Mild 27.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.28 (weak base)

    Molecular weight
    214.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 160.82 ˚C est.

  • Synonyms

    • 3-Hydroxyphenyl benzoate
    • Resorcinol monobenzoate
    • 136-36-7
    • 1,3-Benzenediol, monobenzoate
    • Eastman Inhibitor RMB
    • RESORCINOL, MONOBENZOATE
    • m-hydroxyphenyl benzoate
    • 942E82KUWD
    • NSC-4807
    • DTXSID1038878
    • CHEBI:156556
    • RefChem:879463
    • DTXCID9018878
    • 205-241-7
    • (3-hydroxyphenyl) benzoate
    • Benzoic Acid 3-Hydroxyphenyl Ester
    • Benzoic acid, m-hydroxyphenyl ester
    • MFCD00020118
    • 1,3-Benzenediol, 1-benzoate
    • 3-BENZOYLOXYPHENOL
    • NSC 4807
    • EINECS 205-241-7
    • BRN 1873897
    • UNII-942E82KUWD
    • Resorcinol benzoate
    • WLN: QR COVR
    • RESORCINOL, BENZOATE
    • SCHEMBL78117
    • Benzoic acid resorcinol ester
    • BIDD:ER0042
    • Resorcinol monobenzoate, 97%
    • CHEMBL2260450
    • SCHEMBL27456416
    • SCHEMBL31650796
    • 1,3-BENZENEDIOL BENZOATE
    • MSK2551
    • NSC4807
    • ALBB-025059
    • SBB072186
    • benzoic acid (3-hydroxyphenyl) ester
    • AKOS015839082
    • FH61997
    • SY048889
    • DS-020848
    • B0077
    • CS-0308088
    • H1560
    • NS00024422
    • ST45027671
    • D88598
    • EN300-107171
    • Q27271634
    • InChI=1/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14
    • 136-36-7

  • Applications

    Resorcinol, monobenzoate (CAS 136-36-7) is primarily used as a chemical intermediate in the synthesis of resorcinol-based resins and related derivatives for polymers and coatings. In perfumery, it may be used as a fragrance ingredient; in cosmetics and personal care, it serves as an intermediate for fragrance-related components in formulations. In the polymers/plastics and coatings/inks sectors, it can function as a building block or functional additive that enables crosslinking and improves performance. It is also used as an intermediate for producing other resorcinol esters and specialty chemicals, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 317.26
    methanol 336.19
    isopropanol 203.24
    water 0.06
    ethyl acetate 265.63
    n-propanol 241.57
    acetone 513.43
    n-butanol 195.33
    acetonitrile 254.12
    DMF 640.27
    toluene 28.21
    isobutanol 144.35
    1,4-dioxane 451.34
    methyl acetate 314.9
    THF 811.05
    2-butanone 452.76
    n-pentanol 95.55
    sec-butanol 221.33
    n-hexane 0.38
    ethylene glycol 49.02
    NMP 264.6
    cyclohexane 0.78
    DMSO 1164.23
    n-butyl acetate 144.92
    n-octanol 36.12
    chloroform 58.69
    n-propyl acetate 138.84
    acetic acid 245.93
    dichloromethane 49.99
    cyclohexanone 290.78
    propylene glycol 130.36
    isopropyl acetate 147.65
    DMAc 631.32
    2-ethoxyethanol 198.08
    isopentanol 139.56
    n-heptane 0.58
    ethyl formate 141.62
    1,2-dichloroethane 97.69
    n-hexanol 66.87
    2-methoxyethanol 630.44
    isobutyl acetate 78.55
    tetrachloromethane 2.1
    n-pentyl acetate 54.69
    transcutol 1284.42
    n-heptanol 32.14
    ethylbenzene 18.8
    MIBK 137.57
    2-propoxyethanol 217.21
    tert-butanol 192.18
    MTBE 135.74
    2-butoxyethanol 107.55
    propionic acid 173.13
    o-xylene 17.9
    formic acid 77.31
    diethyl ether 129.37
    m-xylene 17.26
    p-xylene 23.39
    chlorobenzene 42.11
    dimethyl carbonate 115.64
    n-octane 0.36
    formamide 301.3
    cyclopentanone 405.07
    2-pentanone 269.1
    anisole 116.27
    cyclopentyl methyl ether 137.21
    gamma-butyrolactone 451.3
    1-methoxy-2-propanol 474.67
    pyridine 257.23
    3-pentanone 137.75
    furfural 308.78
    n-dodecane 1.72
    diethylene glycol 188.87
    diisopropyl ether 24.44
    tert-amyl alcohol 175.95
    acetylacetone 354.84
    n-hexadecane 2.02
    acetophenone 112.58
    methyl propionate 217.11
    isopentyl acetate 120.9
    trichloroethylene 199.69
    n-nonanol 36.59
    cyclohexanol 103.27
    benzyl alcohol 93.98
    2-ethylhexanol 42.61
    isooctanol 31.12
    dipropyl ether 50.27
    1,2-dichlorobenzene 38.89
    ethyl lactate 86.43
    propylene carbonate 216.27
    n-methylformamide 289.52
    2-pentanol 98.76
    n-pentane 0.3
    1-propoxy-2-propanol 151.33
    1-methoxy-2-propyl acetate 170.04
    2-(2-methoxypropoxy) propanol 170.69
    mesitylene 11.93
    ε-caprolactone 249.5
    p-cymene 15.2
    epichlorohydrin 511.14
    1,1,1-trichloroethane 41.78
    2-aminoethanol 149.85
    morpholine-4-carbaldehyde 360.29
    sulfolane 491.09
    2,2,4-trimethylpentane 1.69
    2-methyltetrahydrofuran 326.28
    n-hexyl acetate 95.6
    isooctane 1.46
    2-(2-butoxyethoxy)ethanol 260.6
    sec-butyl acetate 97.61
    tert-butyl acetate 151.2
    decalin 2.01
    glycerin 176.76
    diglyme 457.2
    acrylic acid 147.54
    isopropyl myristate 43.55
    n-butyric acid 224.37
    acetyl acetate 140.85
    di(2-ethylhexyl) phthalate 38.84
    ethyl propionate 123.6
    nitromethane 678.29
    1,2-diethoxyethane 187.83
    benzonitrile 105.85
    trioctyl phosphate 28.27
    1-bromopropane 24.24
    gamma-valerolactone 473.88
    n-decanol 28.86
    triethyl phosphate 50.19
    4-methyl-2-pentanol 54.91
    propionitrile 156.63
    vinylene carbonate 176.04
    1,1,2-trichlorotrifluoroethane 274.67
    DMS 123.62
    cumene 14.73
    2-octanol 21.42
    2-hexanone 140.36
    octyl acetate 51.28
    limonene 21.45
    1,2-dimethoxyethane 405.12
    ethyl orthosilicate 42.8
    tributyl phosphate 40.98
    diacetone alcohol 241.45
    N,N-dimethylaniline 56.64
    acrylonitrile 226.42
    aniline 80.87
    1,3-propanediol 260.36
    bromobenzene 30.97
    dibromomethane 24.21
    1,1,2,2-tetrachloroethane 188.4
    2-methyl-cyclohexyl acetate 68.2
    tetrabutyl urea 55.98
    diisobutyl methanol 30.35
    2-phenylethanol 75.91
    styrene 28.54
    dioctyl adipate 74.05
    dimethyl sulfate 183.22
    ethyl butyrate 102.62
    methyl lactate 157.48
    butyl lactate 73.93
    diethyl carbonate 74.93
    propanediol butyl ether 144.68
    triethyl orthoformate 68.78
    p-tert-butyltoluene 16.0
    methyl 4-tert-butylbenzoate 88.63
    morpholine 616.03
    tert-butylamine 59.98
    n-dodecanol 22.61
    dimethoxymethane 406.82
    ethylene carbonate 138.34
    cyrene 114.38
    2-ethoxyethyl acetate 116.88
    2-ethylhexyl acetate 81.78
    1,2,4-trichlorobenzene 61.39
    4-methylpyridine 186.56
    dibutyl ether 63.65
    2,6-dimethyl-4-heptanol 30.35
    DEF 261.1
    dimethyl isosorbide 210.69
    tetrachloroethylene 63.14
    eugenol 99.1
    triacetin 131.22
    span 80 112.57
    1,4-butanediol 48.95
    1,1-dichloroethane 51.48
    2-methyl-1-pentanol 86.52
    methyl formate 198.21
    2-methyl-1-butanol 150.54
    n-decane 1.95
    butyronitrile 154.22
    3,7-dimethyl-1-octanol 46.83
    1-chlorooctane 15.72
    1-chlorotetradecane 8.19
    n-nonane 1.18
    undecane 1.86
    tert-butylcyclohexane 2.55
    cyclooctane 0.31
    cyclopentanol 119.47
    tetrahydropyran 305.79
    tert-amyl methyl ether 102.78
    2,5,8-trioxanonane 316.31
    1-hexene 6.59
    2-isopropoxyethanol 124.28
    2,2,2-trifluoroethanol 54.5
    methyl butyrate 170.31

    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