Baclofen

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  • Identifiers

    CAS number
    1134-47-0

    Molecular formula
    C10H12ClNO2

    SMILES
    C1=CC(=CC=C1C(CC(=O)O)CN)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 44.19%
    Meaty 30.51%
    Animal 28.46%
    Savory 27.6%
    Citrus 25.55%
    Cheesy 25.23%
    Fishy 22.13%
    Grape 21.61%
    Cooked 20.81%
    Grapefruit 20.58%

     

    Flavor
    Odorless 56.47%
    Mild 47.88%
    Faint 23.93%
    Bland 22.32%
    Bitter 20.94%
    Nitrile 20.53%
    Yeast 20.26%
    Orange flower 20.25%
    Urine 19.89%
    Honeysuckle 19.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    6.39 (neutral)

    Molecular weight
    213.66 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Melting point expt.

    • 372 to 376 °F (NTP, 1992)
    • 206 - 208 °C

    Flash point

    • 197.39 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • 4 mg/mL
    • 7.12e-01 g/L

  • Synonyms

    • baclofen
    • 1134-47-0
    • Lioresal
    • 4-Amino-3-(4-chlorophenyl)butanoic acid
    • Baclon
    • Kemstro
    • DL-Baclofen
    • Baclofene
    • Baclofeno
    • Gabalon
    • (+-)-Baclofen
    • Baclofenum
    • Baclophen
    • Lioresal Intrathecal
    • (RS)-BACLOFEN
    • beta-(4-Chlorophenyl)gaba
    • 4-Amino-3-(4-chlorophenyl)butyric acid
    • Gablofen
    • Ciba 34,647-Ba
    • (+/-)-BACLOFEN
    • DL-4-Amino-3-p-chlorophenylbutanoic acid
    • Ba-34647
    • beta-(Aminomethyl)-4-chlorobenzenepropanoic acid
    • C 34647Ba
    • beta-(p-Chlorophenyl)-gamma-aminobutyric acid
    • Ba 34647
    • Baclofene [INN-French]
    • Baclofenum [INN-Latin]
    • Baclofeno [INN-Spanish]
    • Ba-34,647
    • beta-(Aminomethyl)-p-chlorohydrocinnamic acid
    • gamma-Amino-beta-(p-chlorophenyl)butyric acid
    • Baclofen (R,S)
    • FLEQSUVY
    • LYVISPAH
    • CCRIS 3722
    • Butanoic acid, 4-amino-3-(4-chlorophenyl)-
    • EINECS 214-486-9
    • UNII-H789N3FKE8
    • MFCD00055143
    • NSC-755906
    • BRN 2104494
    • OZOBAX
    • CHEBI:2972
    • H789N3FKE8
    • IPX056
    • DTXSID5022641
    • Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-
    • IPX 056
    • CHEMBL701
    • DTXCID002641
    • Atrofen
    • Apo-Baclofen
    • Chlorophenyl GABA
    • NSC329137
    • Baclofen [USAN:USP:INN:BAN:JAN]
    • NSC 755906
    • HYDROCINNAMIC ACID, beta-(AMINOMETHYL)-p-CHLORO-
    • 4-Amino-3-(p-chlorophenyl)butyric acid
    • NCGC00015156-11
    • Baclofene (INN-French)
    • Baclofenum (INN-Latin)
    • (RS)-Amino-3-(4-chlorophenyl)butyric acid
    • Baclofeno (INN-Spanish)
    • PCP-GABA
    • BACLOFEN (MART.)
    • BACLOFEN [MART.]
    • BACLOFEN (USP-RS)
    • BACLOFEN [USP-RS]
    • .beta.-(Aminomethyl)-p-chlorohydrocinnamic acid
    • .beta.-(Aminomethyl)-4-chlorobenzenepropanoic acid
    • GABA, Chlorophenyl
    • BACLOFEN (EP MONOGRAPH)
    • BACLOFEN [EP MONOGRAPH]
    • BACLOFEN (USP MONOGRAPH)
    • BACLOFEN [USP MONOGRAPH]
    • Baclofen (USAN:USP:INN:BAN:JAN)
    • Lioresal (TN)
    • Kemstro (TN)
    • SR-01000000107
    • (+)-Baclofen; (L)-Baclofen
    • M03BX01
    • Baclofen; (3RS)-4-Amino-3-(4-chlorophenyl)butanoic acid
    • baclofen o
    • MFCD01321057
    • Baclofen Injection
    • (y)-Baclofen
    • Prestwick_85
    • CAS-1134-47-0
    • (?)-Baclofen
    • (R,S)-Baclofen
    • Lioresal (baclofen)
    • Baclofen (Standard)
    • (A+/-)-Baclofen
    • ( inverted exclamation markA)-BACLOFEN
    • Baclofen (Intrathecal)
    • Spectrum_000066
    • BACLOFEN [USAN]
    • BACLOFEN [INN]
    • BACLOFEN [JAN]
    • BACLOFEN [MI]
    • BACLOFEN [VANDF]
    • (.+/-.)-Baclofen
    • (.+/-.)-Baklofen
    • Prestwick0_000085
    • Prestwick1_000085
    • Prestwick2_000085
    • Prestwick3_000085
    • Spectrum2_000092
    • Spectrum3_000310
    • Spectrum4_000245
    • Spectrum5_000852
    • BACLOFEN [WHO-DD]
    • Biomol-NT_000251
    • UPCMLD-DP142
    • 4-AMINO-3(4-CHLOROPHENYL)BUTYRIC ACID
    • B 5399
    • Lopac0_000163
    • Oprea1_440627
    • SCHEMBL19333
    • BSPBio_000010
    • BSPBio_001880
    • KBioGR_000650
    • KBioSS_000466
    • Baclofen - Bio-X trade mark
    • MLS000028480
    • .beta.-(4-Chlorophenyl)gaba
    • DivK1c_000001

  • Applications

    Baclofen (CAS 1134-47-0) is primarily used in the pharmaceutical industry as an active pharmaceutical ingredient (API) in prescription formulations; it is also involved in medicinal chemistry research as a scaffold for related GABA-B ligands and may serve as a reference standard in analytical method development and quality-control workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.13
    methanol 0.73
    isopropanol 0.14
    water 2.72
    ethyl acetate 12.06
    n-propanol 0.16
    acetone 1.0
    n-butanol 0.2
    acetonitrile 0.41
    DMF 420.61
    toluene 13.86
    isobutanol 0.29
    1,4-dioxane 1.66
    methyl acetate 3.15
    THF 15.94
    2-butanone 1.97
    n-pentanol 0.57
    sec-butanol 0.23
    n-hexane 0.03
    ethylene glycol 3.2
    NMP 165.94
    cyclohexane 0.03
    DMSO 31.39
    n-butyl acetate 7.46
    n-octanol 0.91
    chloroform 0.97
    n-propyl acetate 5.21
    acetic acid 8.72
    dichloromethane 0.88
    cyclohexanone 11.15
    propylene glycol 1.58
    isopropyl acetate 8.8
    DMAc 308.06
    2-ethoxyethanol 13.38
    isopentanol 0.99
    n-heptane 0.13
    ethyl formate 6.44
    1,2-dichloroethane 1.12
    n-hexanol 2.64
    2-methoxyethanol 17.17
    isobutyl acetate 4.16
    tetrachloromethane 0.57
    n-pentyl acetate 4.18
    transcutol 26.05
    n-heptanol 3.1
    ethylbenzene 2.46
    MIBK 7.13
    2-propoxyethanol 23.71
    tert-butanol 1.68
    MTBE 1.09
    2-butoxyethanol 14.13
    propionic acid 4.07
    o-xylene 7.15
    formic acid 32.76
    diethyl ether 0.31
    m-xylene 10.19
    p-xylene 3.29
    chlorobenzene 3.53
    dimethyl carbonate 23.95
    n-octane 0.06
    formamide 29.73
    cyclopentanone 27.51
    2-pentanone 4.72
    anisole 7.56
    cyclopentyl methyl ether 9.63
    gamma-butyrolactone 52.96
    1-methoxy-2-propanol 17.23
    pyridine 6.61
    3-pentanone 4.88
    furfural 61.02
    n-dodecane 0.07
    diethylene glycol 34.9
    diisopropyl ether 0.69
    tert-amyl alcohol 2.0
    acetylacetone 26.15
    n-hexadecane 0.08
    acetophenone 16.01
    methyl propionate 17.61
    isopentyl acetate 8.6
    trichloroethylene 6.06
    n-nonanol 1.23
    cyclohexanol 1.23
    benzyl alcohol 10.02
    2-ethylhexanol 3.2
    isooctanol 3.26
    dipropyl ether 2.24
    1,2-dichlorobenzene 4.66
    ethyl lactate 12.42
    propylene carbonate 33.16
    n-methylformamide 32.71
    2-pentanol 0.38
    n-pentane 0.01
    1-propoxy-2-propanol 15.59
    1-methoxy-2-propyl acetate 25.6
    2-(2-methoxypropoxy) propanol 19.98
    mesitylene 4.16
    ε-caprolactone 18.83
    p-cymene 2.82
    epichlorohydrin 17.79
    1,1,1-trichloroethane 2.01
    2-aminoethanol 3.16
    morpholine-4-carbaldehyde 91.28
    sulfolane 89.88
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 4.99
    n-hexyl acetate 3.38
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 18.64
    sec-butyl acetate 4.86
    tert-butyl acetate 11.99
    decalin 0.16
    glycerin 18.95
    diglyme 35.26
    acrylic acid 7.29
    isopropyl myristate 2.42
    n-butyric acid 8.75
    acetyl acetate 11.68
    di(2-ethylhexyl) phthalate 6.32
    ethyl propionate 7.69
    nitromethane 22.7
    1,2-diethoxyethane 4.44
    benzonitrile 6.2
    trioctyl phosphate 4.01
    1-bromopropane 0.23
    gamma-valerolactone 56.06
    n-decanol 1.14
    triethyl phosphate 8.23
    4-methyl-2-pentanol 1.47
    propionitrile 0.62
    vinylene carbonate 26.62
    1,1,2-trichlorotrifluoroethane 43.25
    DMS 9.52
    cumene 2.05
    2-octanol 1.34
    2-hexanone 3.73
    octyl acetate 3.26
    limonene 2.72
    1,2-dimethoxyethane 18.27
    ethyl orthosilicate 6.95
    tributyl phosphate 4.38
    diacetone alcohol 25.88
    N,N-dimethylaniline 9.88
    acrylonitrile 2.43
    aniline 9.03
    1,3-propanediol 3.61
    bromobenzene 3.3
    dibromomethane 0.45
    1,1,2,2-tetrachloroethane 4.62
    2-methyl-cyclohexyl acetate 9.81
    tetrabutyl urea 8.39
    diisobutyl methanol 2.52
    2-phenylethanol 11.14
    styrene 2.46
    dioctyl adipate 5.78
    dimethyl sulfate 73.44
    ethyl butyrate 8.37
    methyl lactate 25.83
    butyl lactate 9.2
    diethyl carbonate 6.78
    propanediol butyl ether 10.02
    triethyl orthoformate 7.65
    p-tert-butyltoluene 2.71
    methyl 4-tert-butylbenzoate 19.8
    morpholine 2.93
    tert-butylamine 0.55
    n-dodecanol 0.98
    dimethoxymethane 32.71
    ethylene carbonate 18.25
    cyrene 38.76
    2-ethoxyethyl acetate 8.8
    2-ethylhexyl acetate 6.12
    1,2,4-trichlorobenzene 6.85
    4-methylpyridine 14.57
    dibutyl ether 0.77
    2,6-dimethyl-4-heptanol 2.52
    DEF 31.72
    dimethyl isosorbide 47.26
    tetrachloroethylene 4.31
    eugenol 22.41
    triacetin 11.31
    span 80 13.19
    1,4-butanediol 3.42
    1,1-dichloroethane 0.68
    2-methyl-1-pentanol 1.94
    methyl formate 26.7
    2-methyl-1-butanol 0.74
    n-decane 0.08
    butyronitrile 0.75
    3,7-dimethyl-1-octanol 1.8
    1-chlorooctane 0.39
    1-chlorotetradecane 0.28
    n-nonane 0.06
    undecane 0.07
    tert-butylcyclohexane 0.19
    cyclooctane 0.04
    cyclopentanol 1.89
    tetrahydropyran 0.69
    tert-amyl methyl ether 2.35
    2,5,8-trioxanonane 34.04
    1-hexene 0.14
    2-isopropoxyethanol 10.66
    2,2,2-trifluoroethanol 15.63
    methyl butyrate 10.28

    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