Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    32637-73-3

    Molecular formula
    C12H11I3N2O4

    SMILES
    CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)CC(=O)NC)I

  • Odor profile

    Fragrance
    Odorless 67.83%
    Savory 31.41%
    Meaty 24.12%
    Milky 23.29%
    Cooked 20.38%
    Grape 20.28%
    Cooling 19.96%
    Bitter 18.53%
    Burnt 16.32%
    Dairy 16.12%

     

    Flavor
    Odorless 56.41%
    Bitter 44.4%
    Mild 33.4%
    Bland 27.31%
    Very mild 26.09%
    Roasted 21.22%
    Yeast 21.15%
    Sweet-like 20.89%
    Taco 20.07%
    Cooked 20.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.72 (neutral)

    Molecular weight
    627.94 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1640°C

    Flash point

    • 331.24 ˚C est.

  • Synonyms

    • BRN 2774314
    • BENZOIC ACID, 3-ACETAMIDO-5-(METHYLCARBAMOYLMETHYL)-
    • 32637-73-3
    • (5-Acetamino-3-carboxy-2,4,6-trijod-phenyl)-essigsaure-methylamid [French]
    • Acetanilide, 3-carboxy-5-(methylcarbamoylmethyl)-2,4,6-triiodo-
    • DTXSID60186319
    • (5-Acetamino-3-carboxy-2,4,6-trijod-phenyl)-essigsaure-methylamid
    • SCHEMBL10347867
    • DTXCID20108810

  • Applications

    Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- may be used as an intermediate in pharmaceutical synthesis, serving as a building block for active pharmaceutical ingredients and related intermediates. It may also be evaluated for use in cosmetics and personal care as a synthetic intermediate or functional additive, in household products as a formulation intermediate or processing aid, in polymers and plastics as a functionalized monomer or crosslinking agent, and in coatings and inks as a processing additive to impart specific properties. Any use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.28
    methanol 5.07
    isopropanol 2.28
    water 0.02
    ethyl acetate 4.99
    n-propanol 4.71
    acetone 6.06
    n-butanol 3.39
    acetonitrile 3.23
    DMF 61.58
    toluene 0.93
    isobutanol 2.75
    1,4-dioxane 6.51
    methyl acetate 5.36
    THF 30.99
    2-butanone 7.97
    n-pentanol 3.63
    sec-butanol 2.86
    n-hexane 0.09
    ethylene glycol 1.93
    NMP 66.0
    cyclohexane 0.09
    DMSO 20.16
    n-butyl acetate 8.23
    n-octanol 2.84
    chloroform 7.12
    n-propyl acetate 7.1
    acetic acid 5.22
    dichloromethane 7.96
    cyclohexanone 11.03
    propylene glycol 2.44
    isopropyl acetate 3.47
    DMAc 60.35
    2-ethoxyethanol 12.78
    isopentanol 2.61
    n-heptane 0.13
    ethyl formate 7.42
    1,2-dichloroethane 4.59
    n-hexanol 4.15
    2-methoxyethanol 19.0
    isobutyl acetate 4.12
    tetrachloromethane 0.52
    n-pentyl acetate 6.99
    transcutol 15.45
    n-heptanol 3.57
    ethylbenzene 0.9
    MIBK 4.0
    2-propoxyethanol 20.7
    tert-butanol 2.02
    MTBE 1.8
    2-butoxyethanol 12.98
    propionic acid 4.08
    o-xylene 0.73
    formic acid 5.36
    diethyl ether 2.48
    m-xylene 0.66
    p-xylene 1.04
    chlorobenzene 1.85
    dimethyl carbonate 7.13
    n-octane 0.08
    formamide 9.86
    cyclopentanone 22.65
    2-pentanone 6.59
    anisole 5.3
    cyclopentyl methyl ether 7.2
    gamma-butyrolactone 25.43
    1-methoxy-2-propanol 12.74
    pyridine 11.71
    3-pentanone 4.75
    furfural 28.11
    n-dodecane 0.09
    diethylene glycol 12.9
    diisopropyl ether 0.46
    tert-amyl alcohol 2.64
    acetylacetone 7.62
    n-hexadecane 0.1
    acetophenone 8.52
    methyl propionate 8.34
    isopentyl acetate 6.44
    trichloroethylene 11.38
    n-nonanol 2.93
    cyclohexanol 2.37
    benzyl alcohol 6.45
    2-ethylhexanol 2.8
    isooctanol 2.79
    dipropyl ether 3.33
    1,2-dichlorobenzene 2.28
    ethyl lactate 6.87
    propylene carbonate 13.35
    n-methylformamide 19.6
    2-pentanol 1.79
    n-pentane 0.08
    1-propoxy-2-propanol 13.45
    1-methoxy-2-propyl acetate 12.66
    2-(2-methoxypropoxy) propanol 12.16
    mesitylene 0.35
    ε-caprolactone 13.46
    p-cymene 1.16
    epichlorohydrin 26.42
    1,1,1-trichloroethane 1.96
    2-aminoethanol 4.76
    morpholine-4-carbaldehyde 42.47
    sulfolane 32.65
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 11.05
    n-hexyl acetate 6.6
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 12.77
    sec-butyl acetate 3.83
    tert-butyl acetate 4.06
    decalin 0.1
    glycerin 5.16
    diglyme 20.56
    acrylic acid 4.98
    isopropyl myristate 2.49
    n-butyric acid 5.73
    acetyl acetate 2.64
    di(2-ethylhexyl) phthalate 4.9
    ethyl propionate 6.59
    nitromethane 12.24
    1,2-diethoxyethane 6.1
    benzonitrile 5.8
    trioctyl phosphate 3.59
    1-bromopropane 2.36
    gamma-valerolactone 34.86
    n-decanol 2.17
    triethyl phosphate 4.5
    4-methyl-2-pentanol 1.11
    propionitrile 4.04
    vinylene carbonate 12.32
    1,1,2-trichlorotrifluoroethane 24.23
    DMS 6.1
    cumene 0.73
    2-octanol 2.13
    2-hexanone 7.54
    octyl acetate 4.02
    limonene 1.46
    1,2-dimethoxyethane 22.54
    ethyl orthosilicate 4.06
    tributyl phosphate 3.8
    diacetone alcohol 8.01
    N,N-dimethylaniline 5.51
    acrylonitrile 7.27
    aniline 3.93
    1,3-propanediol 5.6
    bromobenzene 1.44
    dibromomethane 4.07
    1,1,2,2-tetrachloroethane 8.33
    2-methyl-cyclohexyl acetate 7.03
    tetrabutyl urea 7.86
    diisobutyl methanol 1.11
    2-phenylethanol 8.02
    styrene 1.12
    dioctyl adipate 5.42
    dimethyl sulfate 13.14
    ethyl butyrate 7.05
    methyl lactate 9.05
    butyl lactate 8.58
    diethyl carbonate 4.93
    propanediol butyl ether 8.68
    triethyl orthoformate 5.75
    p-tert-butyltoluene 1.01
    methyl 4-tert-butylbenzoate 9.76
    morpholine 15.52
    tert-butylamine 0.99
    n-dodecanol 1.46
    dimethoxymethane 22.85
    ethylene carbonate 8.65
    cyrene 19.57
    2-ethoxyethyl acetate 9.52
    2-ethylhexyl acetate 5.45
    1,2,4-trichlorobenzene 3.45
    4-methylpyridine 10.1
    dibutyl ether 2.17
    2,6-dimethyl-4-heptanol 1.11
    DEF 17.54
    dimethyl isosorbide 23.88
    tetrachloroethylene 4.67
    eugenol 13.16
    triacetin 6.88
    span 80 9.04
    1,4-butanediol 2.87
    1,1-dichloroethane 2.45
    2-methyl-1-pentanol 3.08
    methyl formate 12.99
    2-methyl-1-butanol 2.95
    n-decane 0.14
    butyronitrile 4.53
    3,7-dimethyl-1-octanol 2.15
    1-chlorooctane 1.0
    1-chlorotetradecane 0.41
    n-nonane 0.11
    undecane 0.11
    tert-butylcyclohexane 0.09
    cyclooctane 0.03
    cyclopentanol 5.35
    tetrahydropyran 5.18
    tert-amyl methyl ether 2.33
    2,5,8-trioxanonane 15.27
    1-hexene 0.73
    2-isopropoxyethanol 7.91
    2,2,2-trifluoroethanol 3.71
    methyl butyrate 9.91

    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