Batatasin Iv

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  • Identifiers

    CAS number
    60347-67-3

    Molecular formula
    C15H16O3

    SMILES
    COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 65.13%
    Spicy 48.79%
    Sweet 48.55%
    Fruity 41.86%
    Smoky 34.97%
    Balsamic 33.83%
    Woody 33.53%
    Medicinal 33.07%
    Animal 32.03%
    Vanilla 30.14%

     

    Flavor
    Bitter 54.28%
    Phenolic 46.0%
    Medicinal 33.48%
    Woody 28.88%
    Spicy 26.7%
    Mild 25.82%
    Smoky 25.18%
    Spice 24.38%
    Creosote 23.75%
    Flat 23.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    11.35 (strong base)

    Molecular weight
    244.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    422°C

    Melting point expt.

    • 99.5 - 100.5 °C

    Flash point

    • 183.58 ˚C est.

  • Synonyms

    • Batatasin IV
    • 60347-67-3
    • 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol
    • P52XXM9HLN
    • DTXSID50209107
    • Phenol, 3-(2-(2-hydroxyphenyl)ethyl)-5-methoxy-
    • 3-(2-(2-Hydroxyphenyl)ethyl)-5-methoxyphenol
    • Phenol, 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-
    • RefChem:1077758
    • DTXCID30131598
    • 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
    • 2',3-dihydroxy-5-methoxybibenzyl
    • CHEMBL228126
    • CHEBI:2997
    • orb1684060
    • SCHEMBL30523841
    • EX-A6737
    • HY-N8760
    • KCA34767
    • 2,3'-Dihydroxy-5'-methoxybibenzyl
    • BDBM50211956
    • LMPK13090032
    • AKOS030540362
    • EBC-617480
    • FS-8402
    • 2-(3-hydroxy-5-methoxyphenethyl)phenol
    • DA-61498
    • CS-0149029
    • H50711
    • 3-[2-(2-Hydroxyphenyl)ethyl]-5-methoxyphenol, 9CI
    • Q27105920
    • 1-(2-Hydroxyphenyl)-2-(3-hydroxy-5-methoxyphenyl)ethane
    • 8KW
    • 60347-67-3

  • Applications

    Batatasin Iv, CAS 60347-67-3, is a natural neolignan primarily encountered as a reference compound and synthetic building block in chemical research. In industry, it is commonly evaluated as an intermediate for constructing more complex lignan-derived molecules and as a basis for libraries used in pharmaceutical discovery. In cosmetics and personal care, it may be explored as a natural ingredient with potential antioxidant or functional roles in formulations. Additionally, it is used as a reference starting point for agricultural and materials research, where biological activity and potential polymer or coating applications are explored, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 522.57
    methanol 627.8
    isopropanol 379.56
    water 0.06
    ethyl acetate 388.37
    n-propanol 329.33
    acetone 419.94
    n-butanol 178.08
    acetonitrile 287.6
    DMF 126.73
    toluene 26.25
    isobutanol 125.5
    1,4-dioxane 999.24
    methyl acetate 307.47
    THF 1787.49
    2-butanone 257.89
    n-pentanol 124.47
    sec-butanol 158.5
    n-hexane 0.67
    ethylene glycol 131.64
    NMP 25.21
    cyclohexane 1.59
    DMSO 1327.28
    n-butyl acetate 73.75
    n-octanol 33.84
    chloroform 115.67
    n-propyl acetate 104.29
    acetic acid 241.17
    dichloromethane 86.92
    cyclohexanone 141.01
    propylene glycol 363.05
    isopropyl acetate 159.21
    DMAc 144.46
    2-ethoxyethanol 481.37
    isopentanol 105.17
    n-heptane 2.08
    ethyl formate 119.09
    1,2-dichloroethane 104.76
    n-hexanol 88.6
    2-methoxyethanol 1029.18
    isobutyl acetate 63.23
    tetrachloromethane 6.44
    n-pentyl acetate 40.01
    transcutol 757.66
    n-heptanol 36.7
    ethylbenzene 13.2
    MIBK 108.1
    2-propoxyethanol 358.24
    tert-butanol 454.46
    MTBE 163.61
    2-butoxyethanol 115.03
    propionic acid 143.22
    o-xylene 11.97
    formic acid 83.36
    diethyl ether 194.71
    m-xylene 17.33
    p-xylene 14.05
    chlorobenzene 26.31
    dimethyl carbonate 94.87
    n-octane 1.66
    formamide 237.92
    cyclopentanone 225.38
    2-pentanone 184.09
    anisole 81.28
    cyclopentyl methyl ether 140.62
    gamma-butyrolactone 257.08
    1-methoxy-2-propanol 716.15
    pyridine 129.39
    3-pentanone 93.07
    furfural 153.87
    n-dodecane 2.87
    diethylene glycol 388.95
    diisopropyl ether 30.26
    tert-amyl alcohol 163.65
    acetylacetone 293.29
    n-hexadecane 3.18
    acetophenone 56.1
    methyl propionate 186.4
    isopentyl acetate 71.36
    trichloroethylene 149.73
    n-nonanol 35.23
    cyclohexanol 79.67
    benzyl alcohol 74.28
    2-ethylhexanol 34.6
    isooctanol 30.85
    dipropyl ether 56.87
    1,2-dichlorobenzene 24.43
    ethyl lactate 75.21
    propylene carbonate 102.81
    n-methylformamide 166.26
    2-pentanol 97.41
    n-pentane 0.56
    1-propoxy-2-propanol 213.96
    1-methoxy-2-propyl acetate 157.46
    2-(2-methoxypropoxy) propanol 117.63
    mesitylene 11.47
    ε-caprolactone 115.79
    p-cymene 11.17
    epichlorohydrin 491.92
    1,1,1-trichloroethane 62.76
    2-aminoethanol 305.51
    morpholine-4-carbaldehyde 177.93
    sulfolane 236.24
    2,2,4-trimethylpentane 1.54
    2-methyltetrahydrofuran 308.92
    n-hexyl acetate 60.4
    isooctane 2.04
    2-(2-butoxyethoxy)ethanol 194.9
    sec-butyl acetate 70.04
    tert-butyl acetate 163.1
    decalin 2.16
    glycerin 361.87
    diglyme 354.29
    acrylic acid 95.15
    isopropyl myristate 34.51
    n-butyric acid 203.4
    acetyl acetate 149.23
    di(2-ethylhexyl) phthalate 27.21
    ethyl propionate 91.84
    nitromethane 564.8
    1,2-diethoxyethane 191.96
    benzonitrile 51.37
    trioctyl phosphate 21.99
    1-bromopropane 32.78
    gamma-valerolactone 317.45
    n-decanol 29.44
    triethyl phosphate 35.31
    4-methyl-2-pentanol 51.7
    propionitrile 144.15
    vinylene carbonate 83.91
    1,1,2-trichlorotrifluoroethane 200.18
    DMS 70.48
    cumene 10.45
    2-octanol 24.49
    2-hexanone 93.36
    octyl acetate 39.67
    limonene 15.49
    1,2-dimethoxyethane 517.33
    ethyl orthosilicate 34.33
    tributyl phosphate 29.76
    diacetone alcohol 228.49
    N,N-dimethylaniline 35.11
    acrylonitrile 157.87
    aniline 58.67
    1,3-propanediol 503.87
    bromobenzene 22.34
    dibromomethane 45.87
    1,1,2,2-tetrachloroethane 133.07
    2-methyl-cyclohexyl acetate 46.78
    tetrabutyl urea 37.17
    diisobutyl methanol 29.46
    2-phenylethanol 69.19
    styrene 16.63
    dioctyl adipate 48.16
    dimethyl sulfate 109.26
    ethyl butyrate 60.89
    methyl lactate 139.83
    butyl lactate 47.2
    diethyl carbonate 48.57
    propanediol butyl ether 107.59
    triethyl orthoformate 51.05
    p-tert-butyltoluene 12.53
    methyl 4-tert-butylbenzoate 65.05
    morpholine 990.56
    tert-butylamine 103.64
    n-dodecanol 24.44
    dimethoxymethane 536.54
    ethylene carbonate 82.76
    cyrene 86.38
    2-ethoxyethyl acetate 97.41
    2-ethylhexyl acetate 42.7
    1,2,4-trichlorobenzene 31.37
    4-methylpyridine 71.13
    dibutyl ether 52.57
    2,6-dimethyl-4-heptanol 29.46
    DEF 79.8
    dimethyl isosorbide 180.55
    tetrachloroethylene 53.47
    eugenol 69.95
    triacetin 80.54
    span 80 76.89
    1,4-butanediol 125.92
    1,1-dichloroethane 81.01
    2-methyl-1-pentanol 67.1
    methyl formate 151.62
    2-methyl-1-butanol 76.71
    n-decane 4.03
    butyronitrile 122.07
    3,7-dimethyl-1-octanol 37.21
    1-chlorooctane 17.65
    1-chlorotetradecane 9.41
    n-nonane 3.1
    undecane 3.34
    tert-butylcyclohexane 2.69
    cyclooctane 0.8
    cyclopentanol 120.14
    tetrahydropyran 426.73
    tert-amyl methyl ether 74.79
    2,5,8-trioxanonane 252.9
    1-hexene 7.5
    2-isopropoxyethanol 234.29
    2,2,2-trifluoroethanol 50.74
    methyl butyrate 95.89

    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