M-Cumenyl Methylcarbamate

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  • Identifiers

    CAS number
    64-00-6

    Molecular formula
    C11H15NO2

    SMILES
    CC(C)C1=CC(=CC=C1)OC(=O)NC

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 34.91%
    Animal 32.96%
    Herbal 27.54%
    Mint 24.74%
    Cooling 24.07%
    Cheesy 21.93%
    Savory 21.85%
    Phenolic 21.43%
    Spicy 20.59%
    Citrus 20.51%

     

    Flavor
    Herbal 30.21%
    Woody 29.34%
    Odorless 27.01%
    Mild 25.59%
    Fruity 24.48%
    Musty 23.29%
    Creosote 20.31%
    Ethyl benzoate 20.26%
    Bland 20.13%
    Thymol 19.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.63 (weak base)

    Molecular weight
    193.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Melting point expt.

    • 162 to 165 °F (EPA, 1998)
    • 72 to 74 °C

    Flash point

    • 130.95 ˚C est.

    Solubility expt.

    • 10% in isophorone; 10% in xylene; 20% in toluene; 20% in toluene; 40% in isopropanol; 50% in acetone; 60% in dimethylformamide. Practically insoluble in cyclohexane.
    • In water, 85 ppm at 30 °C
    • In water, 270 mg/L at 25 °C /Estimated/

  • Synonyms

    • m-Cumenyl methylcarbamate
    • 64-00-6
    • 3-Isopropylphenyl methylcarbamate
    • m-Cumenol methylcarbamate
    • Hercules 5727
    • m-Isopropylphenyl methylcarbamate
    • Compound 10854
    • m-Isopropylphenyl N-methylcarbamate
    • Caswell No. 512A
    • Union carbide 10854
    • m-Isopropylphenol methylcarbamate
    • (3-propan-2-ylphenyl) N-methylcarbamate
    • Methylcarbamic acid m-cumenyl ester
    • Union carbide uc-10,854
    • Carbamic acid, methyl-, m-cumenyl ester
    • HSDB 6376
    • OMS 162
    • UC 10854
    • m-Isopropylphenol N-methylcarbamate
    • 3-Isopropylphenyl N-methylcarbamate
    • RCRA waste no. P202
    • N-Methyl m-isopropylphenyl carbamate
    • N-Methyl-m-isopropylphenyl carbamate
    • EINECS 200-572-3
    • N-Methyl 3-isopropylphenyl carbamate
    • N-Methyl-3-isopropylphenyl carbamate
    • HER. 5727
    • Phenol, m-isopropyl-, methylcarbamate
    • ENT 25,500
    • EPA Pesticide Chemical Code 047801
    • UNII-27502G8UZX
    • AC 5727
    • 3-(1-Methylethyl)phenol methylcarbamate
    • BRN 2051096
    • DTXSID1040324
    • PHENOL, 3-(1-METHYLETHYL)-, METHYLCARBAMATE
    • Hercules AC-5727
    • Carbamic acid, methyl-, 3-(1-methylethyl)phenyl ester
    • H 5727
    • H 8757
    • Carbamic acid, N-methyl-, 3-isopropylphenyl ester
    • m-Kumenylester kyseliny methylkarbaminove
    • DTXCID9020324
    • Phenol, 3-(1-methylethyl)-, methyl carbamate
    • 27502G8UZX
    • CUMENYL METHYLCARBAMATE, M-
    • Phenol, 3-(1-methylethyl)-, 1-(N-methylcarbamate)
    • 1PC
    • MIP
    • Hercules AC 5727
    • PHENOL, 3-(1-METHYLETHYL)-, METHYLCARBAMATE [HSDB]
    • Oms-631
    • OMS-15
    • 3-Isopropylphenyl-N-methylcarbamate
    • N-Methyl carbamate, m-1-propylphenyl
    • 3-(1-Methylethyl)phenyl methylcarbamate
    • AI3-25500
    • m-Kumenylester kyseliny methylkarbaminove [Czech]
    • Compound 10854(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938)
    • Compound 10854[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938]
    • H-8,757
    • Hercules AC 5727(Crop Protection Handbook 2004. (Formerly Farm and Chemicals Handbook) Willoughby, OH: Meister Publishing Co., 2004., p. C-146)
    • Hercules AC 5727[Crop Protection Handbook 2004. (Formerly Farm and Chemicals Handbook) Willoughby, OH: Meister Publishing Co., 2004., p. C-146]
    • m-Isopropylphenyl-N-methyl carbamate(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938)
    • m-Isopropylphenyl-N-methyl carbamate[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938]
    • N-methyl-3-isopropylphenyl carbamate(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938)
    • N-methyl-3-isopropylphenyl carbamate[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938]
    • N-methyl-m-isopropylphenyl carbamate(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938)
    • N-methyl-m-isopropylphenyl carbamate[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938]
    • UC 10854(Crop Protection Handbook 2004. (Formerly Farm and Chemicals Handbook) Willoughby, OH: Meister Publishing Co., 2004., p. C-146)
    • UC 10854[Crop Protection Handbook 2004. (Formerly Farm and Chemicals Handbook) Willoughby, OH: Meister Publishing Co., 2004., p. C-146]
    • Caswell No 512A
    • ENT 25,543
    • Hercules-5,727
    • mCumenol methylcarbamate
    • mCumenyl methylcarbamate
    • 3-(propan-2-yl)phenyl N-methylcarbamate
    • OMS15
    • Union Carbide UC10,854
    • m-Cumenyl methylcarbamic acid
    • 3IsopropylphenylNmethylcarbamate
    • mIsopropylphenyl methylcarbamate
    • 3Isopropylphenyl methylcarbamate
    • OMS 15
    • OMS631
    • SCHEMBL5933261
    • mIsopropylphenol Nmethylcarbamate
    • mIsopropylphenyl Nmethylcarbamate
    • NMethylmisopropylphenyl carbamate
    • CHEMBL2046819
    • NMethyl3isopropylphenyl carbamate
    • NMethyl carbamate, m2propylphenyl
    • NMethyl misopropylphenyl carbamate
    • OMS-162
    • Methylcarbamic acid mcumenyl ester
    • NMethyl 3isopropylphenyl carbamate
    • Phenol, misopropyl, methylcarbamate
    • Tox21_302006
    • ENT 25500
    • 3(1Methylethyl)phenol methylcarbamate
    • 3(1Methylethyl)phenyl methylcarbamate
    • Carbamic acid, methyl, mcumenyl ester
    • mKumenylester kyseliny methylkarbaminove
    • CAS-64-00-6
    • USEPA/OPP Pesticide Code: 047801
    • NCGC00255448-01
    • Phenol, 3(1methylethyl), methyl carbamate
    • NS00035617
    • Carbamic acid, Nmethyl, 3isopropylphenyl ester
    • H8,757
    • PHENOL,3(1-METHYLETHYL)-,METHYLCARBAMATE
    • Carbamic acid, methyl, 3(1methylethyl)phenyl ester
    • Q6712041

  • Applications

    M-Cumenyl Methylcarbamate (CAS 64-00-6) is primarily used as an organic synthesis intermediate, providing a reactive carbamate functional group for subsequent transformations. It is commonly evaluated as a building block in agrochemical and pharmaceutical intermediate production, where it can be converted into carbamate derivatives for active ingredients. In industrial manufacturing, it may appear as a specialty intermediate or reactive precursor in coatings and ink formulations, or as a precursor in polymer and materials chemistry. Its use is generally limited to research and development and pilot-scale production, and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 414.14
    methanol 469.36
    isopropanol 264.01
    water 0.24
    ethyl acetate 250.43
    n-propanol 317.46
    acetone 679.6
    n-butanol 275.28
    acetonitrile 241.59
    DMF 2601.24
    toluene 107.86
    isobutanol 232.73
    1,4-dioxane 374.18
    methyl acetate 315.91
    THF 722.27
    2-butanone 550.03
    n-pentanol 199.2
    sec-butanol 282.32
    n-hexane 11.74
    ethylene glycol 98.59
    NMP 1343.82
    cyclohexane 6.0
    DMSO 1846.12
    n-butyl acetate 235.91
    n-octanol 49.61
    chloroform 774.98
    n-propyl acetate 168.76
    acetic acid 296.87
    dichloromethane 761.91
    cyclohexanone 526.38
    propylene glycol 164.36
    isopropyl acetate 157.08
    DMAc 1475.75
    2-ethoxyethanol 295.8
    isopentanol 236.38
    n-heptane 2.18
    ethyl formate 188.75
    1,2-dichloroethane 668.86
    n-hexanol 163.04
    2-methoxyethanol 545.38
    isobutyl acetate 108.97
    tetrachloromethane 50.43
    n-pentyl acetate 111.74
    transcutol 724.69
    n-heptanol 60.5
    ethylbenzene 66.53
    MIBK 187.6
    2-propoxyethanol 309.04
    tert-butanol 313.82
    MTBE 299.55
    2-butoxyethanol 161.38
    propionic acid 247.82
    o-xylene 75.87
    formic acid 144.59
    diethyl ether 209.34
    m-xylene 77.44
    p-xylene 87.87
    chlorobenzene 228.67
    dimethyl carbonate 184.78
    n-octane 1.26
    formamide 320.98
    cyclopentanone 856.3
    2-pentanone 373.25
    anisole 213.61
    cyclopentyl methyl ether 277.96
    gamma-butyrolactone 794.02
    1-methoxy-2-propanol 403.56
    pyridine 410.42
    3-pentanone 271.4
    furfural 581.42
    n-dodecane 1.23
    diethylene glycol 230.36
    diisopropyl ether 47.79
    tert-amyl alcohol 314.94
    acetylacetone 366.38
    n-hexadecane 1.5
    acetophenone 191.66
    methyl propionate 308.46
    isopentyl acetate 202.05
    trichloroethylene 1211.77
    n-nonanol 43.11
    cyclohexanol 169.94
    benzyl alcohol 183.88
    2-ethylhexanol 77.53
    isooctanol 49.1
    dipropyl ether 59.31
    1,2-dichlorobenzene 205.3
    ethyl lactate 96.85
    propylene carbonate 368.76
    n-methylformamide 669.13
    2-pentanol 163.27
    n-pentane 6.06
    1-propoxy-2-propanol 187.68
    1-methoxy-2-propyl acetate 221.12
    2-(2-methoxypropoxy) propanol 155.35
    mesitylene 38.99
    ε-caprolactone 392.63
    p-cymene 31.77
    epichlorohydrin 968.85
    1,1,1-trichloroethane 357.89
    2-aminoethanol 225.41
    morpholine-4-carbaldehyde 722.21
    sulfolane 1192.33
    2,2,4-trimethylpentane 7.5
    2-methyltetrahydrofuran 492.08
    n-hexyl acetate 159.26
    isooctane 4.7
    2-(2-butoxyethoxy)ethanol 222.05
    sec-butyl acetate 117.33
    tert-butyl acetate 207.66
    decalin 8.71
    glycerin 202.86
    diglyme 378.95
    acrylic acid 255.1
    isopropyl myristate 43.5
    n-butyric acid 281.1
    acetyl acetate 148.58
    di(2-ethylhexyl) phthalate 68.91
    ethyl propionate 143.56
    nitromethane 675.25
    1,2-diethoxyethane 169.57
    benzonitrile 195.67
    trioctyl phosphate 44.37
    1-bromopropane 250.33
    gamma-valerolactone 799.47
    n-decanol 29.96
    triethyl phosphate 65.57
    4-methyl-2-pentanol 85.13
    propionitrile 230.11
    vinylene carbonate 306.91
    1,1,2-trichlorotrifluoroethane 579.81
    DMS 173.71
    cumene 45.2
    2-octanol 41.69
    2-hexanone 230.38
    octyl acetate 67.08
    limonene 46.26
    1,2-dimethoxyethane 452.6
    ethyl orthosilicate 59.53
    tributyl phosphate 60.43
    diacetone alcohol 274.23
    N,N-dimethylaniline 134.98
    acrylonitrile 343.8
    aniline 228.28
    1,3-propanediol 259.53
    bromobenzene 228.76
    dibromomethane 451.48
    1,1,2,2-tetrachloroethane 988.48
    2-methyl-cyclohexyl acetate 106.92
    tetrabutyl urea 80.27
    diisobutyl methanol 37.17
    2-phenylethanol 155.36
    styrene 92.52
    dioctyl adipate 79.1
    dimethyl sulfate 397.31
    ethyl butyrate 108.02
    methyl lactate 181.1
    butyl lactate 113.93
    diethyl carbonate 84.83
    propanediol butyl ether 174.96
    triethyl orthoformate 75.89
    p-tert-butyltoluene 33.22
    methyl 4-tert-butylbenzoate 134.88
    morpholine 586.61
    tert-butylamine 154.25
    n-dodecanol 20.67
    dimethoxymethane 568.45
    ethylene carbonate 234.86
    cyrene 198.31
    2-ethoxyethyl acetate 183.03
    2-ethylhexyl acetate 148.68
    1,2,4-trichlorobenzene 271.32
    4-methylpyridine 511.33
    dibutyl ether 51.78
    2,6-dimethyl-4-heptanol 37.17
    DEF 542.72
    dimethyl isosorbide 266.12
    tetrachloroethylene 431.58
    eugenol 147.43
    triacetin 134.37
    span 80 128.82
    1,4-butanediol 116.3
    1,1-dichloroethane 492.68
    2-methyl-1-pentanol 199.05
    methyl formate 394.07
    2-methyl-1-butanol 257.68
    n-decane 2.14
    butyronitrile 235.34
    3,7-dimethyl-1-octanol 58.15
    1-chlorooctane 23.84
    1-chlorotetradecane 8.22
    n-nonane 1.87
    undecane 1.56
    tert-butylcyclohexane 9.67
    cyclooctane 1.97
    cyclopentanol 228.7
    tetrahydropyran 347.19
    tert-amyl methyl ether 218.72
    2,5,8-trioxanonane 233.55
    1-hexene 83.09
    2-isopropoxyethanol 205.06
    2,2,2-trifluoroethanol 123.41
    methyl butyrate 225.8

    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