Flopropione

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  • Identifiers

    CAS number
    2295-58-1

    Molecular formula
    C9H10O4

    SMILES
    CCC(=O)C1=C(C=C(C=C1O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 59.01%
    Phenolic 42.68%
    Burnt 28.25%
    Nutty 22.12%
    Milky 20.61%
    Savory 20.43%
    Animal 19.97%
    Bitter 19.94%
    Vanilla 19.89%
    Creamy 19.81%

     

    Flavor
    Bitter 59.86%
    Odorless 35.57%
    Mild 28.22%
    Phenolic 27.5%
    Bland 24.0%
    Cedarleaf 21.37%
    Sweet-like 21.26%
    Parsley 20.85%
    Eugenol 20.62%
    Flat 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.86 (weak base)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Flash point

    • 176.7 ˚C est.

  • Synonyms

    • flopropione
    • 2295-58-1
    • 1-(2,4,6-trihydroxyphenyl)propan-1-one
    • Phloropropiophenone
    • Ephtanon
    • Flopropiona
    • 2,4,6-Trihydroxypropiophenone
    • 1-(2,4,6-Trihydroxyphenyl)-1-propanone
    • Flopropionum
    • NSC-97909
    • 05V5NVB5Y1
    • DTXSID3045851
    • DTXCID1025851
    • RefChem:599299
    • 218-942-8
    • 2',4',6'-Trihydroxypropiophenone
    • Cospanon
    • Labrodax
    • Argobyl
    • Labroda
    • Phloropropionone
    • 1-Propanone, 1-(2,4,6-trihydroxyphenyl)-
    • Propiophloroglucine
    • Flopropion
    • Chlonarin
    • Ecapron
    • Gasstenon
    • Supanate
    • Supazlun
    • Labrodax supanate
    • Propionylphloroglucinol
    • RP 13907
    • NSC 97909
    • 13907 R. P.
    • PROPIOPHENONE, 2',4',6'-TRIHYDROXY-
    • MFCD00016456
    • NCGC00094817-01
    • Profenon
    • Flopropionum [INN-Latin]
    • Flopropiona [INN-Spanish]
    • CAS-2295-58-1
    • Flopropione [INN:DCF:JAN]
    • EINECS 218-942-8
    • BRN 2096799
    • UNII-05V5NVB5Y1
    • Gallepronin
    • Flopion
    • Spamorin
    • Spasmoril
    • Pasmus
    • AI3-36955
    • Phlopropiophenone
    • Ephtanon (TN)
    • propanoyl-phloroglucinol
    • Spectrum_000563
    • FLOPROPIONE [MI]
    • Spectrum2_000954
    • Spectrum3_000579
    • Spectrum4_000391
    • Spectrum5_001471
    • FLOPROPIONE [INN]
    • FLOPROPIONE [JAN]
    • 13907 R.P.
    • Flopropione (JP17/INN)
    • 2,6-Trihydroxypropiophenone
    • FLOPROPIONE [MART.]
    • SCHEMBL26316
    • BSPBio_001998
    • FLOPROPIONE [WHO-DD]
    • KBioGR_000941
    • KBioSS_001043
    • 3-08-00-03413 (Beilstein Handbook Reference)
    • DivK1c_000482
    • SPECTRUM1500629
    • SPBio_000948
    • 2',6'-Trihydroxypropiophenone
    • orb1310530
    • CHEMBL1605835
    • SCHEMBL23727969
    • CHEBI:31614
    • HMS501I04
    • KBio1_000482
    • KBio2_001043
    • KBio2_003611
    • KBio2_006179
    • KBio3_001498
    • NINDS_000482
    • Propiophenone,4',6'-trihydroxy-
    • HMS1921M05
    • HMS3652F21
    • HMS3885N13
    • HMS5082N18
    • Pharmakon1600-01500629
    • NSC97909
    • Tox21_111340
    • CCG-40074
    • NSC757392
    • s4249
    • AKOS016357612
    • Tox21_111340_1
    • CS-8184
    • EBC-618340
    • FT70412
    • NSC-757392
    • IDI1_000482
    • NCGC00094817-02
    • NCGC00094817-03
    • NCGC00094817-05
    • AC-32766
    • SBI-0051564.P002
    • DB-019834
    • HY-100562
    • NS00027311
    • SW219253-1
    • T0887
    • D01259
    • D83820
    • AB00052131_02
    • SR-01000872776
    • Q5460218
    • SR-01000872776-1
    • BRD-K43383936-001-02-9
    • BRD-K43383936-001-04-5
    • BRD-K43383936-001-05-2
    • InChI=1/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H
    • 2295-58-1

  • Applications

    Flopropione, CAS 2295-58-1, is viewed as an intermediate in organic synthesis and can be used as a solvent in industrial processing; it may function as a plasticizer or stabilizer in polymer formulations to improve flexibility and thermal stability; it is considered for fragrance-related applications as a fragrance component or odorant in perfumery and cosmetics; it can serve as an additive for coatings and inks to adjust processing properties and adhesion; use is subject to local regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 263.57
    methanol 358.88
    isopropanol 200.98
    water 2.42
    ethyl acetate 238.54
    n-propanol 180.01
    acetone 557.59
    n-butanol 174.79
    acetonitrile 211.32
    DMF 1154.75
    toluene 12.44
    isobutanol 113.43
    1,4-dioxane 211.36
    methyl acetate 202.81
    THF 1449.86
    2-butanone 230.38
    n-pentanol 128.32
    sec-butanol 136.75
    n-hexane 4.44
    ethylene glycol 187.38
    NMP 658.43
    cyclohexane 1.52
    DMSO 2688.07
    n-butyl acetate 96.07
    n-octanol 52.01
    chloroform 35.94
    n-propyl acetate 127.19
    acetic acid 213.39
    dichloromethane 50.26
    cyclohexanone 228.89
    propylene glycol 211.96
    isopropyl acetate 139.86
    DMAc 501.85
    2-ethoxyethanol 271.6
    isopentanol 144.78
    n-heptane 4.03
    ethyl formate 177.44
    1,2-dichloroethane 73.61
    n-hexanol 125.65
    2-methoxyethanol 680.9
    isobutyl acetate 56.44
    tetrachloromethane 9.94
    n-pentyl acetate 55.74
    transcutol 243.39
    n-heptanol 48.89
    ethylbenzene 12.03
    MIBK 172.21
    2-propoxyethanol 306.54
    tert-butanol 228.54
    MTBE 91.7
    2-butoxyethanol 109.26
    propionic acid 173.53
    o-xylene 12.23
    formic acid 179.33
    diethyl ether 122.63
    m-xylene 19.94
    p-xylene 12.24
    chlorobenzene 22.23
    dimethyl carbonate 194.99
    n-octane 1.64
    formamide 323.74
    cyclopentanone 569.41
    2-pentanone 292.55
    anisole 65.71
    cyclopentyl methyl ether 250.21
    gamma-butyrolactone 731.69
    1-methoxy-2-propanol 613.43
    pyridine 67.17
    3-pentanone 135.35
    furfural 353.23
    n-dodecane 2.03
    diethylene glycol 343.91
    diisopropyl ether 37.96
    tert-amyl alcohol 139.41
    acetylacetone 393.73
    n-hexadecane 2.32
    acetophenone 74.22
    methyl propionate 244.93
    isopentyl acetate 72.4
    trichloroethylene 97.37
    n-nonanol 44.37
    cyclohexanol 96.96
    benzyl alcohol 67.4
    2-ethylhexanol 54.37
    isooctanol 38.21
    dipropyl ether 61.15
    1,2-dichlorobenzene 24.82
    ethyl lactate 114.59
    propylene carbonate 285.36
    n-methylformamide 505.03
    2-pentanol 134.09
    n-pentane 3.87
    1-propoxy-2-propanol 186.92
    1-methoxy-2-propyl acetate 159.21
    2-(2-methoxypropoxy) propanol 112.72
    mesitylene 14.65
    ε-caprolactone 202.31
    p-cymene 14.35
    epichlorohydrin 563.4
    1,1,1-trichloroethane 48.54
    2-aminoethanol 218.3
    morpholine-4-carbaldehyde 392.54
    sulfolane 1133.59
    2,2,4-trimethylpentane 3.41
    2-methyltetrahydrofuran 339.37
    n-hexyl acetate 91.37
    isooctane 4.21
    2-(2-butoxyethoxy)ethanol 146.27
    sec-butyl acetate 72.7
    tert-butyl acetate 159.6
    decalin 3.55
    glycerin 364.15
    diglyme 235.1
    acrylic acid 173.76
    isopropyl myristate 35.72
    n-butyric acid 198.11
    acetyl acetate 126.71
    di(2-ethylhexyl) phthalate 37.84
    ethyl propionate 142.43
    nitromethane 639.52
    1,2-diethoxyethane 70.47
    benzonitrile 56.68
    trioctyl phosphate 39.17
    1-bromopropane 36.92
    gamma-valerolactone 520.85
    n-decanol 33.23
    triethyl phosphate 48.3
    4-methyl-2-pentanol 84.87
    propionitrile 129.05
    vinylene carbonate 185.17
    1,1,2-trichlorotrifluoroethane 277.06
    DMS 88.94
    cumene 12.14
    2-octanol 37.05
    2-hexanone 144.41
    octyl acetate 50.41
    limonene 21.98
    1,2-dimethoxyethane 370.89
    ethyl orthosilicate 39.42
    tributyl phosphate 41.76
    diacetone alcohol 294.38
    N,N-dimethylaniline 47.93
    acrylonitrile 169.82
    aniline 45.08
    1,3-propanediol 296.23
    bromobenzene 15.15
    dibromomethane 31.1
    1,1,2,2-tetrachloroethane 82.77
    2-methyl-cyclohexyl acetate 54.78
    tetrabutyl urea 60.45
    diisobutyl methanol 36.59
    2-phenylethanol 69.68
    styrene 11.37
    dioctyl adipate 53.98
    dimethyl sulfate 404.58
    ethyl butyrate 80.93
    methyl lactate 258.18
    butyl lactate 68.24
    diethyl carbonate 52.58
    propanediol butyl ether 128.88
    triethyl orthoformate 49.75
    p-tert-butyltoluene 16.05
    methyl 4-tert-butylbenzoate 85.75
    morpholine 309.21
    tert-butylamine 85.77
    n-dodecanol 24.12
    dimethoxymethane 690.66
    ethylene carbonate 159.4
    cyrene 150.71
    2-ethoxyethyl acetate 76.75
    2-ethylhexyl acetate 48.62
    1,2,4-trichlorobenzene 33.24
    4-methylpyridine 86.76
    dibutyl ether 35.81
    2,6-dimethyl-4-heptanol 36.59
    DEF 257.67
    dimethyl isosorbide 205.22
    tetrachloroethylene 42.13
    eugenol 88.31
    triacetin 76.79
    span 80 89.43
    1,4-butanediol 115.2
    1,1-dichloroethane 55.42
    2-methyl-1-pentanol 85.97
    methyl formate 440.77
    2-methyl-1-butanol 110.79
    n-decane 3.24
    butyronitrile 155.97
    3,7-dimethyl-1-octanol 45.02
    1-chlorooctane 19.98
    1-chlorotetradecane 7.72
    n-nonane 2.92
    undecane 2.56
    tert-butylcyclohexane 4.21
    cyclooctane 1.33
    cyclopentanol 195.66
    tetrahydropyran 159.66
    tert-amyl methyl ether 80.48
    2,5,8-trioxanonane 171.81
    1-hexene 21.08
    2-isopropoxyethanol 148.2
    2,2,2-trifluoroethanol 120.8
    methyl butyrate 170.75

    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