Felbamate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    25451-15-4

    Molecular formula
    C11H14N2O4

    SMILES
    C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 40.03%
    Fruity 32.5%
    Sweet 27.69%
    Balsamic 26.82%
    Grape 26.48%
    Savory 23.27%
    Tropical 22.08%
    Sulfurous 21.99%
    Honey 21.72%
    Sour 21.08%

     

    Flavor
    Fruity 46.26%
    Odorless 45.37%
    Mild 35.44%
    Sweet 28.36%
    Sour 27.05%
    Grape 25.85%
    Bitter 24.06%
    Very mild 23.46%
    Yeast 23.12%
    Strawberry 22.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.08 (neutral)

    Molecular weight
    238.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Melting point expt.

    • 151.5 °C
    • 151-153 °C

    Flash point

    • 219.55 ˚C est.

    Solubility expt.

    • Slightly soluble in water
    • Sparingly soluble in water, methanol, ethanol, acetone and chloroform; freely soluble in DSMO, 1-methyl-2-pyrrolidinone and DMF.
    • 7.42e-01 g/L

  • Synonyms

    • felbamate
    • 25451-15-4
    • Felbatol
    • 2-Phenylpropane-1,3-diyl dicarbamate
    • 2-Phenyl-1,3-propanediol dicarbamate
    • Felbamato
    • Felbamyl
    • Taloxa
    • Felbamatum
    • W-554
    • 1,3-Propanediol, 2-phenyl-, dicarbamate
    • Felbamatum [Latin]
    • ADD-03055
    • carbamic acid 2-phenyltrimethylene ester
    • W 554
    • CHEBI:4995
    • Carbamic acid, 2-phenyltrimethylene ester
    • EINECS 247-001-4
    • UNII-X72RBB02N8
    • NSC-759866
    • BRN 3345236
    • X72RBB02N8
    • DTXSID9023041
    • HSDB 7525
    • (3-carbamoyloxy-1,1,3,3-tetradeuterio-2-phenylpropyl) carbamate
    • MFCD00865296
    • 3-(carbamoyloxy)-2-phenylpropyl carbamate
    • 2-Phenyl-1,3-propanediol 1,3-dicarbamate
    • MLS000028465
    • DTXCID903041
    • 4-06-00-05993 (Beilstein Handbook Reference)
    • Carbamic acid 3-carbamoyloxy-2-phenyl-propyl ester
    • Felbamatum (Latin)
    • NSC 759866
    • NCGC00015429-08
    • W-554;ADD-03055
    • Felbamato [Spanish]
    • SMR000058448
    • FELBAMATE (MART.)
    • FELBAMATE [MART.]
    • FELBAMATE (USP-RS)
    • FELBAMATE [USP-RS]
    • Felbamate [USAN:INN]
    • (3-carbamoyloxy-2-phenylpropyl) carbamate
    • FELBAMATE (USP MONOGRAPH)
    • FELBAMATE [USP MONOGRAPH]
    • Felbatol (TN)
    • CAS-25451-15-4
    • SR-01000000089
    • Felbamate?
    • ADD 03055
    • 2 Phenyl 1,3 propanediol dicarbamate
    • Felbamate (Standard)
    • Felbamate (USPINN)
    • Tocris-0869
    • FELBAMATE [INN]
    • FELBAMATE [MI]
    • FELBAMATE [HSDB]
    • FELBAMATE [USAN]
    • Opera_ID_1738
    • Prestwick0_000919
    • FELBAMATE [VANDF]
    • Lopac-F-0778
    • Biomol-NT_000203
    • F 0778
    • FELBAMATE [WHO-DD]
    • CHEMBL1094
    • Lopac0_000524
    • SCHEMBL34947
    • MLS001077299
    • BIDD:GT0463
    • BPBio1_001258
    • GTPL5473
    • FELBAMATE [ORANGE BOOK]
    • HY-B0184R
    • EX-A591
    • N03AX10
    • HMS2093P19
    • HMS2234H06
    • HMS3261J09
    • HMS3266L12
    • HMS3370I06
    • HMS3411P21
    • HMS3657I11
    • HMS3675P21
    • HMS3715D20
    • HMS3884E11
    • Pharmakon1600-01505600
    • BCP27941
    • HY-B0184
    • Tox21_110145
    • Tox21_302368
    • Tox21_500524
    • BDBM50088430
    • NSC759866
    • s1330
    • AKOS015895100
    • Tox21_110145_1
    • AC-8197
    • CCG-204614
    • CS-2068
    • DB00949
    • KS-1171
    • LP00524
    • SDCCGSBI-0050507.P003
    • NCGC00015429-01
    • NCGC00015429-02
    • NCGC00015429-03
    • NCGC00015429-04
    • NCGC00015429-05
    • NCGC00015429-06
    • NCGC00015429-07
    • NCGC00015429-09
    • NCGC00015429-10
    • NCGC00015429-11
    • NCGC00015429-14
    • NCGC00015429-24
    • NCGC00023092-02
    • NCGC00023092-04
    • NCGC00023092-05
    • NCGC00023092-06
    • NCGC00255275-01
    • NCGC00261209-01
    • SBI-0050507.P002
    • DB-046702
    • AE2 - Newer Anti-epileptic drug mixtures 2
    • EU-0100524
    • NS00010360

  • Applications

    Felbamate (CAS 25451-15-4) is a small-molecule pharmaceutical active ingredient used in prescription anticonvulsant medications; in medicinal chemistry it serves as a building block for the synthesis of related carbamate-containing compounds; it is also encountered as a reference material for analytical method development and quality control in pharmaceutical settings; and it is supplied as a fine chemical intermediate for custom synthesis and process development in the pharma and chemical industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.09
    methanol 7.95
    isopropanol 0.79
    water 9.88
    ethyl acetate 1.7
    n-propanol 1.02
    acetone 2.12
    n-butanol 0.67
    acetonitrile 1.29
    DMF 102.71
    toluene 0.25
    isobutanol 0.54
    1,4-dioxane 2.2
    methyl acetate 1.74
    THF 8.04
    2-butanone 1.59
    n-pentanol 0.56
    sec-butanol 0.63
    n-hexane 0.09
    ethylene glycol 8.89
    NMP 94.62
    cyclohexane 0.04
    DMSO 109.04
    n-butyl acetate 1.34
    n-octanol 0.4
    chloroform 0.59
    n-propyl acetate 1.16
    acetic acid 15.65
    dichloromethane 0.69
    cyclohexanone 3.48
    propylene glycol 8.84
    isopropyl acetate 1.21
    DMAc 142.45
    2-ethoxyethanol 10.7
    isopentanol 0.72
    n-heptane 0.07
    ethyl formate 2.81
    1,2-dichloroethane 0.57
    n-hexanol 0.6
    2-methoxyethanol 22.49
    isobutyl acetate 0.61
    tetrachloromethane 0.2
    n-pentyl acetate 0.78
    transcutol 15.54
    n-heptanol 0.62
    ethylbenzene 0.24
    MIBK 1.35
    2-propoxyethanol 10.17
    tert-butanol 1.43
    MTBE 0.51
    2-butoxyethanol 4.79
    propionic acid 5.24
    o-xylene 0.44
    formic acid 56.01
    diethyl ether 0.55
    m-xylene 0.32
    p-xylene 0.44
    chlorobenzene 0.33
    dimethyl carbonate 7.29
    n-octane 0.04
    formamide 60.88
    cyclopentanone 9.55
    2-pentanone 1.38
    anisole 1.26
    cyclopentyl methyl ether 1.63
    gamma-butyrolactone 20.91
    1-methoxy-2-propanol 13.23
    pyridine 2.38
    3-pentanone 1.55
    furfural 21.75
    n-dodecane 0.03
    diethylene glycol 19.83
    diisopropyl ether 0.25
    tert-amyl alcohol 1.14
    acetylacetone 4.87
    n-hexadecane 0.03
    acetophenone 2.91
    methyl propionate 3.76
    isopentyl acetate 1.42
    trichloroethylene 1.44
    n-nonanol 0.46
    cyclohexanol 0.57
    benzyl alcohol 1.74
    2-ethylhexanol 0.48
    isooctanol 0.55
    dipropyl ether 0.98
    1,2-dichlorobenzene 0.59
    ethyl lactate 4.88
    propylene carbonate 9.88
    n-methylformamide 25.92
    2-pentanol 0.41
    n-pentane 0.04
    1-propoxy-2-propanol 5.78
    1-methoxy-2-propyl acetate 5.22
    2-(2-methoxypropoxy) propanol 8.67
    mesitylene 0.31
    ε-caprolactone 5.13
    p-cymene 0.4
    epichlorohydrin 6.56
    1,1,1-trichloroethane 0.42
    2-aminoethanol 9.25
    morpholine-4-carbaldehyde 44.3
    sulfolane 52.26
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.79
    n-hexyl acetate 0.88
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 7.96
    sec-butyl acetate 0.74
    tert-butyl acetate 1.67
    decalin 0.05
    glycerin 33.87
    diglyme 15.31
    acrylic acid 10.3
    isopropyl myristate 0.51
    n-butyric acid 3.86
    acetyl acetate 2.23
    di(2-ethylhexyl) phthalate 1.79
    ethyl propionate 1.77
    nitromethane 27.06
    1,2-diethoxyethane 1.8
    benzonitrile 1.36
    trioctyl phosphate 0.96
    1-bromopropane 0.24
    gamma-valerolactone 24.49
    n-decanol 0.37
    triethyl phosphate 2.66
    4-methyl-2-pentanol 0.43
    propionitrile 0.9
    vinylene carbonate 8.67
    1,1,2-trichlorotrifluoroethane 19.84
    DMS 3.27
    cumene 0.27
    2-octanol 0.31
    2-hexanone 1.06
    octyl acetate 0.71
    limonene 0.42
    1,2-dimethoxyethane 11.11
    ethyl orthosilicate 2.0
    tributyl phosphate 1.31
    diacetone alcohol 5.95
    N,N-dimethylaniline 1.68
    acrylonitrile 2.36
    aniline 1.04
    1,3-propanediol 6.76
    bromobenzene 0.27
    dibromomethane 0.38
    1,1,2,2-tetrachloroethane 1.48
    2-methyl-cyclohexyl acetate 2.06
    tetrabutyl urea 2.54
    diisobutyl methanol 0.48
    2-phenylethanol 1.7
    styrene 0.27
    dioctyl adipate 1.5
    dimethyl sulfate 28.04
    ethyl butyrate 1.87
    methyl lactate 14.02
    butyl lactate 2.9
    diethyl carbonate 2.0
    propanediol butyl ether 4.98
    triethyl orthoformate 2.18
    p-tert-butyltoluene 0.37
    methyl 4-tert-butylbenzoate 5.5
    morpholine 3.81
    tert-butylamine 0.46
    n-dodecanol 0.28
    dimethoxymethane 16.43
    ethylene carbonate 5.6
    cyrene 15.34
    2-ethoxyethyl acetate 2.18
    2-ethylhexyl acetate 1.06
    1,2,4-trichlorobenzene 0.93
    4-methylpyridine 1.99
    dibutyl ether 0.41
    2,6-dimethyl-4-heptanol 0.48
    DEF 7.85
    dimethyl isosorbide 16.04
    tetrachloroethylene 1.15
    eugenol 6.18
    triacetin 4.29
    span 80 4.75
    1,4-butanediol 3.2
    1,1-dichloroethane 0.3
    2-methyl-1-pentanol 0.63
    methyl formate 16.93
    2-methyl-1-butanol 0.65
    n-decane 0.04
    butyronitrile 0.76
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.13
    1-chlorotetradecane 0.08
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.03
    cyclopentanol 1.23
    tetrahydropyran 0.61
    tert-amyl methyl ether 0.79
    2,5,8-trioxanonane 14.19
    1-hexene 0.24
    2-isopropoxyethanol 4.47
    2,2,2-trifluoroethanol 13.54
    methyl butyrate 2.41

    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