Iprovalicarb

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  • Identifiers

    CAS number
    140923-17-7

    Molecular formula
    C18H28N2O3

    SMILES
    CC1=CC=C(C=C1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 46.9%
    Cooling 40.94%
    Mint 33.42%
    Savory 30.73%
    Grapefruit 26.55%
    Grape 22.74%
    Milky 20.89%
    Citrus 20.69%
    Meaty 19.77%
    Bitter 19.48%

     

    Flavor
    Bitter 50.44%
    Odorless 37.95%
    Bland 26.78%
    Mild 26.03%
    Fruity 23.13%
    Sweet-like 19.61%
    Nitrile 18.95%
    Heather 18.89%
    Cedarleaf 18.83%
    Broom 18.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.46 (neutral)

    Molecular weight
    320.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    448°C

    Flash point

    • 184.73 ˚C est.

  • Synonyms

    • Iprovalicarb
    • 140923-17-7
    • Fencaramid
    • Melody
    • DTXSID0047662
    • 94Q9V45M9B
    • DTXCID8027662
    • CHEBI:82023
    • SZX-0722
    • Carbamic acid, N-[(1S)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]-, 1-methylethyl ester
    • Carbamic acid, ((1S)-2-methyl-1-(((1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)-, 1-methylethyl ester
    • CARBAMIC ACID, N-((1S)-2-METHYL-1-(((1-(4-METHYLPHENYL)ETHYL)AMINO)CARBONYL)PROPYL)-, 1-METHYLETHYL ESTER
    • RefChem:148667
    • 604-209-3
    • iprovalicarb (ISO); isopropyl ((2S)-3-methyl-1-((1-(4-methylphenyl)ethyl)amino)-1-oxobutan-2-yl)carbamate
    • propan-2-yl N-[(2S)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
    • propan-2-yl N-[3-methyl-1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-1-oxobutan-2-yl]carbamate
    • SZX 0722
    • Iprovalicarb [ISO:BSI]
    • Nanogen code IPV, NIUS
    • UNII-94Q9V45M9B
    • (RS)-iprovalicarb
    • Iprovalicarb 10 microg/mL in Acetonitrile
    • IPROVALICARB [MI]
    • IPROVALICARB [ISO]
    • orb1705416
    • SCHEMBL3030564
    • CHEMBL3188690
    • NWUWYYSKZYIQAE-WMCAAGNKSA-N
    • MSK21011
    • QFA92317
    • Tox21_303633
    • AKOS040744700
    • NCGC00256659-01
    • Carbamic acid, (1S)-2-methyl-1-1-(4-methylphenyl)ethylaminocarbonylpropyl-, 1-methylethyl ester
    • CAS-140923-17-7
    • CS-0083260
    • NS00000435
    • C18866
    • Q27155695
    • isopropyl 2-methyl-1-{((RS)-1-p-tolylethyl)carbamoyl}-(S)-propylcarbamate
    • isopropyl N-[(1S)-2-methyl-1-[1-(p-tolyl)ethylcarbamoyl]propyl]carbamate
    • isopropyl-2-methyl-1-{[(rs)-1-p-tolylethyl]carbamoyl}-(s)-propylcarbamate
    • 1-methylethyl ((1S)-2-methyl-1-(((1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)carbamate
    • 2-methyl-1-(1-(4-methylphenyl)ethylcarbonyl)propylcarbamic acid isopropyl ester
    • isopropyl [(1S)-2-methyl-1-{[(1RS)-1-p-tolylethyl]carbamoyl}propyl]carbamate
    • Propan-2-yl [(2S)-3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl]carbamate
    • 1-methylethyl N-[(1S)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]carbamate
    • 140923-17-7

  • Applications

    Iprovalicarb (CAS 140923-17-7) is primarily used as an organic synthesis intermediate, serving as a building block for carbamate derivatives. In practice, it is commonly evaluated as a building block in pharmaceutical and agrochemical development. It may also find use in polymer chemistry as a precursor for specialty polymers, and in industrial manufacturing as an intermediate for research and development processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 321.65
    methanol 451.0
    isopropanol 202.16
    water 0.91
    ethyl acetate 119.13
    n-propanol 277.82
    acetone 259.95
    n-butanol 239.9
    acetonitrile 64.9
    DMF 570.14
    toluene 60.58
    isobutanol 194.76
    1,4-dioxane 267.36
    methyl acetate 141.25
    THF 421.26
    2-butanone 237.62
    n-pentanol 217.88
    sec-butanol 265.69
    n-hexane 7.26
    ethylene glycol 30.56
    NMP 528.54
    cyclohexane 6.93
    DMSO 392.67
    n-butyl acetate 140.24
    n-octanol 48.64
    chloroform 422.84
    n-propyl acetate 96.4
    acetic acid 359.41
    dichloromethane 342.47
    cyclohexanone 347.76
    propylene glycol 85.25
    isopropyl acetate 89.31
    DMAc 840.47
    2-ethoxyethanol 260.68
    isopentanol 175.64
    n-heptane 1.81
    ethyl formate 107.36
    1,2-dichloroethane 248.77
    n-hexanol 150.63
    2-methoxyethanol 324.39
    isobutyl acetate 74.44
    tetrachloromethane 32.23
    n-pentyl acetate 83.28
    transcutol 367.97
    n-heptanol 63.09
    ethylbenzene 38.4
    MIBK 95.17
    2-propoxyethanol 248.6
    tert-butanol 184.17
    MTBE 137.22
    2-butoxyethanol 155.42
    propionic acid 174.21
    o-xylene 42.1
    formic acid 143.08
    diethyl ether 104.86
    m-xylene 35.63
    p-xylene 59.01
    chlorobenzene 108.48
    dimethyl carbonate 59.11
    n-octane 1.46
    formamide 173.92
    cyclopentanone 361.31
    2-pentanone 158.07
    anisole 78.86
    cyclopentyl methyl ether 136.7
    gamma-butyrolactone 348.05
    1-methoxy-2-propanol 215.07
    pyridine 214.07
    3-pentanone 121.2
    furfural 275.4
    n-dodecane 1.25
    diethylene glycol 149.95
    diisopropyl ether 22.48
    tert-amyl alcohol 229.32
    acetylacetone 157.26
    n-hexadecane 1.45
    acetophenone 103.83
    methyl propionate 109.79
    isopentyl acetate 135.87
    trichloroethylene 429.09
    n-nonanol 46.02
    cyclohexanol 171.9
    benzyl alcohol 116.1
    2-ethylhexanol 60.63
    isooctanol 47.98
    dipropyl ether 35.81
    1,2-dichlorobenzene 93.84
    ethyl lactate 60.88
    propylene carbonate 190.78
    n-methylformamide 197.39
    2-pentanol 129.31
    n-pentane 4.56
    1-propoxy-2-propanol 135.37
    1-methoxy-2-propyl acetate 126.38
    2-(2-methoxypropoxy) propanol 111.51
    mesitylene 17.39
    ε-caprolactone 280.15
    p-cymene 20.21
    epichlorohydrin 405.97
    1,1,1-trichloroethane 148.57
    2-aminoethanol 124.79
    morpholine-4-carbaldehyde 399.56
    sulfolane 400.8
    2,2,4-trimethylpentane 4.68
    2-methyltetrahydrofuran 293.17
    n-hexyl acetate 102.67
    isooctane 2.14
    2-(2-butoxyethoxy)ethanol 163.15
    sec-butyl acetate 75.41
    tert-butyl acetate 93.33
    decalin 6.1
    glycerin 96.87
    diglyme 262.99
    acrylic acid 141.91
    isopropyl myristate 31.16
    n-butyric acid 226.12
    acetyl acetate 79.36
    di(2-ethylhexyl) phthalate 52.05
    ethyl propionate 70.7
    nitromethane 311.88
    1,2-diethoxyethane 117.61
    benzonitrile 86.38
    trioctyl phosphate 34.24
    1-bromopropane 117.68
    gamma-valerolactone 480.05
    n-decanol 30.81
    triethyl phosphate 45.9
    4-methyl-2-pentanol 59.62
    propionitrile 73.15
    vinylene carbonate 148.26
    1,1,2-trichlorotrifluoroethane 301.66
    DMS 85.95
    cumene 27.22
    2-octanol 38.83
    2-hexanone 131.75
    octyl acetate 48.96
    limonene 28.68
    1,2-dimethoxyethane 290.09
    ethyl orthosilicate 45.96
    tributyl phosphate 42.13
    diacetone alcohol 136.58
    N,N-dimethylaniline 67.77
    acrylonitrile 80.71
    aniline 110.75
    1,3-propanediol 187.77
    bromobenzene 89.08
    dibromomethane 220.29
    1,1,2,2-tetrachloroethane 413.23
    2-methyl-cyclohexyl acetate 82.84
    tetrabutyl urea 56.54
    diisobutyl methanol 25.22
    2-phenylethanol 108.64
    styrene 45.23
    dioctyl adipate 55.14
    dimethyl sulfate 119.25
    ethyl butyrate 71.91
    methyl lactate 75.67
    butyl lactate 84.76
    diethyl carbonate 50.32
    propanediol butyl ether 127.71
    triethyl orthoformate 60.49
    p-tert-butyltoluene 18.86
    methyl 4-tert-butylbenzoate 86.69
    morpholine 384.46
    tert-butylamine 79.58
    n-dodecanol 20.35
    dimethoxymethane 181.69
    ethylene carbonate 134.83
    cyrene 141.24
    2-ethoxyethyl acetate 123.01
    2-ethylhexyl acetate 105.9
    1,2,4-trichlorobenzene 121.73
    4-methylpyridine 223.31
    dibutyl ether 36.77
    2,6-dimethyl-4-heptanol 25.22
    DEF 208.2
    dimethyl isosorbide 185.12
    tetrachloroethylene 221.3
    eugenol 99.6
    triacetin 84.89
    span 80 101.82
    1,4-butanediol 107.48
    1,1-dichloroethane 207.32
    2-methyl-1-pentanol 188.36
    methyl formate 130.91
    2-methyl-1-butanol 214.39
    n-decane 2.37
    butyronitrile 92.2
    3,7-dimethyl-1-octanol 43.87
    1-chlorooctane 20.23
    1-chlorotetradecane 6.32
    n-nonane 2.05
    undecane 1.64
    tert-butylcyclohexane 5.26
    cyclooctane 1.68
    cyclopentanol 188.52
    tetrahydropyran 266.62
    tert-amyl methyl ether 113.0
    2,5,8-trioxanonane 162.2
    1-hexene 47.21
    2-isopropoxyethanol 183.4
    2,2,2-trifluoroethanol 116.9
    methyl butyrate 119.54

    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