Dimethylcarbamoyl Chloride

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  • Identifiers

    CAS number
    79-44-7

    Molecular formula
    C3H6ClNO

    SMILES
    CN(C)C(=O)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Odorless 46.56%
    Cheesy 39.57%
    Sour 22.67%
    Pungent 21.92%
    Fishy 21.33%
    Fruity 20.78%
    Savory 18.76%
    Ripe 18.69%
    Mint 18.14%
    Cooling 17.8%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    5.47 (weak acid)

    Molecular weight
    107.54 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -27 °F (NTP, 1992)
    • -33 °C
    • -27 °F

    Boiling point

    • 329 to 333 °F at 760 mmHg (NTP, 1992)
    • 167 °C
    • 329 °F

    Flash point est.
    52.62 ˚C

    Flash point expt.

    • 155 °F (NTP, 1992)
    • Flash point: not available
    • 155 °F

    Solubility expt.

    • Decomposes (NTP, 1992)
    • Reacts

  • Synonyms

    • DIMETHYLCARBAMOYL CHLORIDE
    • 79-44-7
    • Dimethylcarbamyl chloride
    • N,N-Dimethylcarbamoyl chloride
    • Dimethylcarbamic chloride
    • Carbamic chloride, dimethyl-
    • Dimethylcarbamoylchloride
    • Dimethylcarbamic acid chloride
    • Carbamoyl chloride, dimethyl-
    • Dimethyl carbamoyl chloride
    • (Dimethylamino)carbonyl chloride
    • Dimethylchloroformamide
    • N,N-Dimethylcarbamyl chloride
    • Chloroformic acid dimethylamide
    • Dimethyl carbamyl chloride
    • Dimethylcarbamidoyl chloride
    • CCRIS 257
    • N,N-Dimethylcarbamidoyl chloride
    • HSDB 2656
    • N,N-Dimethylcarbamic acid chloride
    • EINECS 201-208-6
    • MFCD00000635
    • TL 389
    • NSC 122671
    • UNII-5D54S95GT6
    • BRN 0878197
    • DTXSID1020512
    • dimethylcarbamylchloride
    • Carbamic chloride, N,N-dimethyl-
    • N,N-dimethylchloroformamide
    • NSC-122671
    • DTXCID30512
    • N,N-dimethyl carbamoyl chloride
    • Chloroformic acid dimethyl amide
    • CHEBI:82280
    • EC 201-208-6
    • 5D54S95GT6
    • NSC122671
    • DIMETHYLCARBAMOYL CHLORIDE [HSDB]
    • DIMETHYLCARBAMOYL CHLORIDE [IARC]
    • CARBAMIC ACID,N,N-DIMETHYL,CHLORIDE
    • (ACGIH) UN2262
    • {ACGIH] UN2262
    • RCRA waste number U097
    • CAS-79-44-7
    • DIMETHYLCARBAMOYL CHLORIDE (IARC)
    • Dimethylkarbamoylchlorid [Czech]
    • Dimethylkarbamoylchlorid
    • Carbamyl chloride, N,N-dimethyl-
    • UN2262
    • RCRA waste no. U097
    • N,N-dimethylcarbamoylchloride
    • Carbamicchloride
    • Dimethylamid kyseliny chlormravenci [Czech]
    • Chlorid kyseliny dimethylkarbaminove [Czech]
    • Dimethylamid kyseliny chlormravenci
    • Chlorid kyseliny dimethylkarbaminove
    • Me2NCOCl
    • Dimethylcarbamylchlorid
    • dimethylcarbamoylchlorid
    • Dimethyl carbamylchloride
    • dimethyl carbamoylchloride
    • dimethylcarbarnyl chloride
    • dirnethylcarbamoyl chloride
    • (CH3)2NCOCl
    • dimethyl-carbamoyl chloride
    • SCHEMBL924
    • carbamic chloride, dimethyl
    • Carbamoyl chloride, dimethyl
    • N,NDimethylcarbamyl chloride
    • ClC(O)N(CH3)2
    • dimethylaminocarbonyl chloride
    • N,NDimethylcarbamoyl chloride
    • N,N-dimethylcarbamic chloride
    • Carbamyl chloride,N-dimethyl-
    • N,N-dimethyl-carbamoylchloride
    • WLN: GVN1&1
    • dimethyl carbamic acid chloride
    • n,n-dimethyl carbamyl chloride
    • TL 389v
    • Carbamyl chloride, N,Ndimethyl
    • N,N-dimethyl-carbamic chloride
    • N,NDimethylcarbamidoyl chloride
    • Dimethylcarbamyl chloride, 98%
    • N,N-dimethyl-carbamoyl chloride
    • CHEMBL1527556
    • DIMETHYL CARBAMIC CHLORIDE
    • N,NDimethylcarbamic acid chloride
    • N,N-Dimethylaminocarbonyl chloride
    • N,N-dimethyl-carbamic acid chloride
    • Tox21_201334
    • Tox21_300116
    • BBL027301
    • Dimethyl carbamoyl chloride (ACGIH)
    • STL370332
    • AKOS000120154
    • FD58110
    • NCGC00091795-01
    • NCGC00091795-02
    • NCGC00091795-03
    • NCGC00254074-01
    • NCGC00258886-01
    • (N,N-DIMETHYLAMINO)CARBONYL CHLORIDE
    • D0695
    • NS00009845
    • C19175
    • Dimethylcarbamoyl chloride [UN2262] [Corrosive]
    • Dimethylcarbamoyl chloride, purum, >=98.0% (AT)
    • Q2563907
    • F0001-2079
    • 201-208-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 192.34
    methanol 256.42
    isopropanol 144.13
    water 92.27
    ethyl acetate 65.49
    n-propanol 122.36
    acetone 180.45
    n-butanol 99.32
    acetonitrile 161.2
    DMF 328.09
    toluene 30.46
    isobutanol 92.11
    1,4-dioxane 129.55
    methyl acetate 118.19
    THF 150.38
    2-butanone 117.97
    n-pentanol 57.47
    sec-butanol 115.88
    n-hexane 5.9
    ethylene glycol 87.38
    NMP 369.67
    cyclohexane 9.42
    DMSO 274.15
    n-butyl acetate 43.37
    n-octanol 33.82
    chloroform 311.94
    n-propyl acetate 40.23
    acetic acid 420.96
    dichloromethane 251.24
    cyclohexanone 134.6
    propylene glycol 80.95
    isopropyl acetate 40.63
    DMAc 351.03
    2-ethoxyethanol 101.44
    isopentanol 73.8
    n-heptane 6.2
    ethyl formate 90.51
    1,2-dichloroethane 118.18
    n-hexanol 46.72
    2-methoxyethanol 193.28
    isobutyl acetate 25.56
    tetrachloromethane 82.92
    n-pentyl acetate 39.75
    transcutol 136.13
    n-heptanol 38.74
    ethylbenzene 20.63
    MIBK 41.0
    2-propoxyethanol 75.93
    tert-butanol 167.89
    MTBE 87.2
    2-butoxyethanol 71.28
    propionic acid 152.79
    o-xylene 39.53
    formic acid 374.07
    diethyl ether 55.26
    m-xylene 27.23
    p-xylene 41.59
    chlorobenzene 64.13
    dimethyl carbonate 42.16
    n-octane 3.41
    formamide 417.81
    cyclopentanone 173.39
    2-pentanone 70.3
    anisole 53.86
    cyclopentyl methyl ether 63.25
    gamma-butyrolactone 197.32
    1-methoxy-2-propanol 122.4
    pyridine 147.12
    3-pentanone 59.03
    furfural 255.84
    n-dodecane 2.77
    diethylene glycol 77.36
    diisopropyl ether 17.11
    tert-amyl alcohol 148.91
    acetylacetone 88.46
    n-hexadecane 3.03
    acetophenone 76.51
    methyl propionate 66.93
    isopentyl acetate 44.63
    trichloroethylene 322.48
    n-nonanol 30.55
    cyclohexanol 82.3
    benzyl alcohol 67.86
    2-ethylhexanol 31.18
    isooctanol 32.71
    dipropyl ether 23.61
    1,2-dichlorobenzene 75.84
    ethyl lactate 35.88
    propylene carbonate 114.15
    n-methylformamide 214.62
    2-pentanol 64.65
    n-pentane 8.74
    1-propoxy-2-propanol 57.02
    1-methoxy-2-propyl acetate 47.66
    2-(2-methoxypropoxy) propanol 66.96
    mesitylene 19.76
    ε-caprolactone 114.75
    p-cymene 22.86
    epichlorohydrin 164.59
    1,1,1-trichloroethane 152.95
    2-aminoethanol 130.26
    morpholine-4-carbaldehyde 228.54
    sulfolane 258.92
    2,2,4-trimethylpentane 8.39
    2-methyltetrahydrofuran 129.36
    n-hexyl acetate 49.01
    isooctane 4.39
    2-(2-butoxyethoxy)ethanol 70.87
    sec-butyl acetate 27.74
    tert-butyl acetate 51.26
    decalin 6.27
    glycerin 119.11
    diglyme 133.66
    acrylic acid 177.69
    isopropyl myristate 19.61
    n-butyric acid 125.59
    acetyl acetate 60.81
    di(2-ethylhexyl) phthalate 34.3
    ethyl propionate 34.33
    nitromethane 445.12
    1,2-diethoxyethane 41.13
    benzonitrile 85.15
    trioctyl phosphate 22.23
    1-bromopropane 58.03
    gamma-valerolactone 202.21
    n-decanol 21.93
    triethyl phosphate 29.84
    4-methyl-2-pentanol 34.91
    propionitrile 84.33
    vinylene carbonate 114.98
    1,1,2-trichlorotrifluoroethane 231.06
    DMS 47.93
    cumene 19.83
    2-octanol 29.16
    2-hexanone 43.49
    octyl acetate 28.3
    limonene 32.66
    1,2-dimethoxyethane 122.9
    ethyl orthosilicate 27.56
    tributyl phosphate 25.98
    diacetone alcohol 91.79
    N,N-dimethylaniline 59.28
    acrylonitrile 130.32
    aniline 75.02
    1,3-propanediol 133.05
    bromobenzene 52.92
    dibromomethane 150.74
    1,1,2,2-tetrachloroethane 251.93
    2-methyl-cyclohexyl acetate 41.22
    tetrabutyl urea 36.57
    diisobutyl methanol 21.85
    2-phenylethanol 55.37
    styrene 25.05
    dioctyl adipate 34.48
    dimethyl sulfate 93.69
    ethyl butyrate 36.3
    methyl lactate 56.17
    butyl lactate 45.23
    diethyl carbonate 30.73
    propanediol butyl ether 72.67
    triethyl orthoformate 31.73
    p-tert-butyltoluene 23.11
    methyl 4-tert-butylbenzoate 77.47
    morpholine 158.6
    tert-butylamine 102.64
    n-dodecanol 16.69
    dimethoxymethane 101.21
    ethylene carbonate 77.0
    cyrene 93.0
    2-ethoxyethyl acetate 52.45
    2-ethylhexyl acetate 35.14
    1,2,4-trichlorobenzene 110.02
    4-methylpyridine 143.78
    dibutyl ether 21.73
    2,6-dimethyl-4-heptanol 21.85
    DEF 117.0
    dimethyl isosorbide 101.31
    tetrachloroethylene 202.81
    eugenol 74.87
    triacetin 63.41
    span 80 62.82
    1,4-butanediol 55.84
    1,1-dichloroethane 138.44
    2-methyl-1-pentanol 52.43
    methyl formate 162.4
    2-methyl-1-butanol 78.29
    n-decane 4.43
    butyronitrile 80.68
    3,7-dimethyl-1-octanol 32.48
    1-chlorooctane 17.43
    1-chlorotetradecane 7.77
    n-nonane 4.17
    undecane 3.35
    tert-butylcyclohexane 7.1
    cyclooctane 3.6
    cyclopentanol 108.06
    tetrahydropyran 88.3
    tert-amyl methyl ether 72.12
    2,5,8-trioxanonane 97.35
    1-hexene 18.81
    2-isopropoxyethanol 66.39
    2,2,2-trifluoroethanol 224.37
    methyl butyrate 56.73

    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