Acetamidophenyl methoxypropionic acid, (R)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1240290-49-6

    Molecular formula
    C12H15NO4

    SMILES
    CC(=O)NC1=CC=C(C=C1)C[C@H](C(=O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 58.38%
    Grape 41.35%
    Sweet 38.33%
    Meaty 29.32%
    Floral 27.63%
    Savory 26.92%
    Cooked 25.19%
    Berry 24.76%
    Roasted 24.19%
    Milky 23.91%

     

    Flavor
    Fruity 53.53%
    Odorless 47.96%
    Mild 35.96%
    Sour 29.31%
    Grape 25.09%
    Very mild 24.38%
    Sweet 20.85%
    Musty 20.74%
    Orange flower 20.51%
    Yeast 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.12 (neutral)

    Molecular weight
    237.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    429°C

    Flash point

    • 208.59 ˚C est.

  • Synonyms

    • GMG-43AC
    • Acetamidophenyl methoxypropionic acid, (R)-
    • V2354F532Y
    • 1240290-49-6
    • Benzenepropanoic acid, 4-(acetylamino)-alpha-methoxy-(alphaR)-
    • RefChem:199339
    • Acetamidophenyl methoxypropionic acid
    • UNII-EDB68L0Q5W
    • EDB68L0Q5W
    • 1190427-41-8
    • N-Acetyl-ged-0507-34-levo
    • Acetamidophenyl methoxypropionic acid, (S)-
    • (S)-(-)-3-(4-Acetylaminophenyl)-2-methoxypropionic acid
    • Benzenepropanoic acid, 4-(acetylamino)-alpha-methoxy-, (alphaS)-
    • UNII-V2354F532Y
    • SCHEMBL719476
    • DTXSID10152302
    • Acetamidophenyl methoxypropionic acid [INCI]
    • (2R)-3-(4-acetamidophenyl)-2-methoxypropanoic acid
    • Q27291432
    • N-acetyl-(R)-(-)-3-(4-aminophenyl)-2-methoxypropionic acid
    • BENZENEPROPANOIC ACID, 4-(ACETYLAMINO)-.ALPHA.-METHOXY-(.ALPHA.R)-
    • 1190427-41-8

  • Applications

    Acetamidophenyl methoxypropionic acid, (R)- (CAS number: 1240290-49-6) is primarily employed as a pharmaceutical intermediate and a chiral building block in medicinal chemistry. In industry, it serves as a starting point for the synthesis of enantiomerically enriched API candidates and related fine chemicals. The compound is commonly evaluated as a scaffold for constructing heterocyclic or substituted aromatic APIs during early and scale-up development. It may also be used as a chiral auxiliary or resolving material in asymmetric synthesis and as a precursor in research programs aimed at new drug leads. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.58
    methanol 95.14
    isopropanol 14.28
    water 7.45
    ethyl acetate 4.11
    n-propanol 17.31
    acetone 11.35
    n-butanol 11.99
    acetonitrile 3.53
    DMF 317.18
    toluene 0.61
    isobutanol 10.02
    1,4-dioxane 15.06
    methyl acetate 5.16
    THF 56.67
    2-butanone 7.28
    n-pentanol 10.39
    sec-butanol 9.95
    n-hexane 0.09
    ethylene glycol 65.07
    NMP 104.33
    cyclohexane 0.07
    DMSO 320.76
    n-butyl acetate 3.03
    n-octanol 3.94
    chloroform 2.36
    n-propyl acetate 3.53
    acetic acid 50.99
    dichloromethane 2.35
    cyclohexanone 19.04
    propylene glycol 79.47
    isopropyl acetate 2.89
    DMAc 318.71
    2-ethoxyethanol 86.88
    isopentanol 10.96
    n-heptane 0.1
    ethyl formate 9.33
    1,2-dichloroethane 2.21
    n-hexanol 6.8
    2-methoxyethanol 183.16
    isobutyl acetate 2.53
    tetrachloromethane 0.49
    n-pentyl acetate 2.24
    transcutol 66.52
    n-heptanol 4.57
    ethylbenzene 0.93
    MIBK 6.5
    2-propoxyethanol 44.78
    tert-butanol 27.11
    MTBE 2.92
    2-butoxyethanol 18.28
    propionic acid 16.97
    o-xylene 1.16
    formic acid 154.7
    diethyl ether 1.33
    m-xylene 1.14
    p-xylene 1.45
    chlorobenzene 1.07
    dimethyl carbonate 7.86
    n-octane 0.09
    formamide 155.06
    cyclopentanone 32.94
    2-pentanone 6.38
    anisole 6.04
    cyclopentyl methyl ether 6.58
    gamma-butyrolactone 36.73
    1-methoxy-2-propanol 87.76
    pyridine 7.1
    3-pentanone 3.58
    furfural 42.61
    n-dodecane 0.12
    diethylene glycol 79.12
    diisopropyl ether 0.55
    tert-amyl alcohol 16.84
    acetylacetone 12.78
    n-hexadecane 0.14
    acetophenone 9.81
    methyl propionate 7.64
    isopentyl acetate 4.56
    trichloroethylene 5.57
    n-nonanol 4.15
    cyclohexanol 7.34
    benzyl alcohol 13.89
    2-ethylhexanol 3.63
    isooctanol 4.06
    dipropyl ether 1.9
    1,2-dichlorobenzene 1.95
    ethyl lactate 11.31
    propylene carbonate 14.63
    n-methylformamide 88.56
    2-pentanol 4.03
    n-pentane 0.05
    1-propoxy-2-propanol 21.91
    1-methoxy-2-propyl acetate 10.36
    2-(2-methoxypropoxy) propanol 26.71
    mesitylene 0.89
    ε-caprolactone 16.97
    p-cymene 1.23
    epichlorohydrin 30.61
    1,1,1-trichloroethane 1.34
    2-aminoethanol 91.39
    morpholine-4-carbaldehyde 91.67
    sulfolane 83.65
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 11.41
    n-hexyl acetate 4.18
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 30.87
    sec-butyl acetate 2.29
    tert-butyl acetate 5.34
    decalin 0.16
    glycerin 149.89
    diglyme 47.29
    acrylic acid 21.2
    isopropyl myristate 2.26
    n-butyric acid 17.12
    acetyl acetate 3.3
    di(2-ethylhexyl) phthalate 5.92
    ethyl propionate 3.88
    nitromethane 58.45
    1,2-diethoxyethane 6.3
    benzonitrile 6.23
    trioctyl phosphate 3.7
    1-bromopropane 0.78
    gamma-valerolactone 69.25
    n-decanol 3.31
    triethyl phosphate 4.67
    4-methyl-2-pentanol 3.9
    propionitrile 3.72
    vinylene carbonate 13.81
    1,1,2-trichlorotrifluoroethane 48.43
    DMS 6.06
    cumene 1.1
    2-octanol 2.46
    2-hexanone 5.21
    octyl acetate 3.24
    limonene 1.42
    1,2-dimethoxyethane 69.45
    ethyl orthosilicate 4.1
    tributyl phosphate 4.27
    diacetone alcohol 26.78
    N,N-dimethylaniline 6.82
    acrylonitrile 8.05
    aniline 4.31
    1,3-propanediol 89.44
    bromobenzene 0.78
    dibromomethane 1.22
    1,1,2,2-tetrachloroethane 5.92
    2-methyl-cyclohexyl acetate 6.26
    tetrabutyl urea 8.3
    diisobutyl methanol 2.39
    2-phenylethanol 9.58
    styrene 0.93
    dioctyl adipate 5.41
    dimethyl sulfate 25.9
    ethyl butyrate 3.6
    methyl lactate 24.57
    butyl lactate 8.15
    diethyl carbonate 3.26
    propanediol butyl ether 24.58
    triethyl orthoformate 3.99
    p-tert-butyltoluene 1.1
    methyl 4-tert-butylbenzoate 13.76
    morpholine 35.96
    tert-butylamine 4.72
    n-dodecanol 2.47
    dimethoxymethane 50.61
    ethylene carbonate 9.68
    cyrene 34.55
    2-ethoxyethyl acetate 5.13
    2-ethylhexyl acetate 2.91
    1,2,4-trichlorobenzene 2.77
    4-methylpyridine 7.73
    dibutyl ether 2.02
    2,6-dimethyl-4-heptanol 2.39
    DEF 21.01
    dimethyl isosorbide 37.05
    tetrachloroethylene 3.76
    eugenol 17.77
    triacetin 8.63
    span 80 17.57
    1,4-butanediol 39.86
    1,1-dichloroethane 1.11
    2-methyl-1-pentanol 9.83
    methyl formate 47.27
    2-methyl-1-butanol 9.99
    n-decane 0.18
    butyronitrile 4.43
    3,7-dimethyl-1-octanol 4.18
    1-chlorooctane 0.83
    1-chlorotetradecane 0.46
    n-nonane 0.14
    undecane 0.15
    tert-butylcyclohexane 0.15
    cyclooctane 0.05
    cyclopentanol 12.76
    tetrahydropyran 4.62
    tert-amyl methyl ether 3.52
    2,5,8-trioxanonane 42.31
    1-hexene 0.6
    2-isopropoxyethanol 32.85
    2,2,2-trifluoroethanol 23.17
    methyl butyrate 7.1

    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