Urethane

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  • Identifiers

    CAS number
    51-79-6

    Molecular formula
    C3H7NO2

    SMILES
    CCOC(=O)N

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fruity 77.5%
    Cheesy 39.37%
    Sour 38.89%
    Grape 34.83%
    Ethereal 33.46%
    Sharp 32.28%
    Winey 30.82%
    Tropical 30.81%
    Pungent 29.14%
    Fermented 27.69%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.2

    Molecular weight
    89.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 118 to 122 °F (NTP, 1992)
    • 49 °C
    • 48.5 - 50 °C

    Boiling point

    • 360 to 363 °F at 760 mmHg (NTP, 1992)
    • 185 °C
    • 185.00 °C. @ 760.00 mm Hg

    Flash point est.
    65.83 ˚C

    Flash point expt.

    • 198 °F (NTP, 1992)
    • 92 °C c.c.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
    • 480000 mg/L (at 15 °C)
    • Soluble in benzene
    • 1g dissolves in 0.8 mL alcohol; 1.5 mL ether; 0.9 mL chloroform; 2.5 mL glycerol; 32 mL olive oil
    • In water, 4.8X10+5 mg/L at 15 °C
    • 480 mg/mL at 15 °C
    • Solubility in water, g/100ml: 200

  • Synonyms

    • urethane
    • ETHYL CARBAMATE
    • 51-79-6
    • Urethan
    • Carbamic acid, ethyl ester
    • Carbamic acid ethyl ester
    • Ethylurethane
    • Pracarbamine
    • Leucethane
    • Ethylcarbamate
    • Ethyl urethane
    • O-Ethylurethane
    • Pracarbamin
    • Ethyl urethan
    • U-Compound
    • Aethylcarbamat
    • Aethylurethan
    • Ethylurethan
    • Leucothane
    • Estane 5703
    • Uretan
    • Uretano [DCIT]
    • Uretan etylowy
    • ethyl aminoformate
    • O-Ethyl urethane
    • RCRA waste number U238
    • Uretano
    • NSC 746
    • Aethylurethan [German]
    • Aethylcarbamat [German]
    • o-Ethyl carbamate
    • Carbamidsaeure-aethylester
    • Ethyl ester of carbamic acid
    • CCRIS 619
    • MFCD00007966
    • Ethylester kyseliny karbaminove
    • Urethane [INN:DCF]
    • ethyl-carbamate
    • HSDB 2555
    • NSC-746
    • A 11032
    • X 41
    • Urethane, INN
    • EINECS 200-123-1
    • UNII-3IN71E75Z5
    • NSC746
    • DTXSID9021427
    • CHEBI:17967
    • AI3-00553
    • Urethane + ethanol (combination)
    • URETHANE [HSDB]
    • URETHANE [INN]
    • URETHAN [MI]
    • NH2COOC2H5
    • URETHANE [WHO-DD]
    • ETHYL CARBAMATE [IARC]
    • DTXCID301427
    • 3IN71E75Z5
    • Aethylurethan (german)
    • NCGC00095041-01
    • Aethylcarbamat (german)
    • Urethanum [INN-Latin]
    • Uretan etylowy [Polish]
    • ETHYL CARBAMATE (IARC)
    • Ethyl carbamate;Carbamic acid ethyl ester;Ethylurethane
    • Urethanum
    • Carbamate, Ethyl
    • Carbamidsaeure-aethylester [German]
    • CAS-51-79-6
    • Urethane [INN:BAN:DCF]
    • Ethylester kyseliny karbaminove [Czech]
    • SR-05000001854
    • RCRA waste no. U238
    • OEthylurethane
    • UCompound
    • AI3-00553(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 3353)
    • AI3-00553[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 3353]
    • Ethyl carbamic acid
    • LEUCOTHANE(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 3353)
    • LEUCOTHANE[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 3353]
    • NSC-746(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 3353)
    • NSC-746[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 3353]
    • Urethane (Standard)
    • Carbamidsaeureaethylester
    • Spectrum_001685
    • Urethane, >=99%
    • Spectrum2_000909
    • Spectrum3_000965
    • Spectrum4_001082
    • Spectrum5_001651
    • WLN: ZVO2
    • BSPBio_002569
    • KBioGR_001464
    • KBioSS_002165
    • Urethane, analytical standard
    • BIDD:ER0508
    • DivK1c_000060
    • SPECTRUM1503304
    • SPBio_000758
    • CHEMBL462547
    • HMS500C22
    • HY-B1207R
    • KBio1_000060
    • KBio2_002165
    • KBio2_004733
    • KBio2_007301
    • KBio3_001789
    • NINDS_000060
    • Urethane, >=99.0% (GC)
    • HMS1922A10
    • HMS2093C21
    • HMS3885F08
    • Pharmakon1600-01503304
    • HY-B1207
    • YCA96207
    • Tox21_111398
    • Tox21_201761
    • Tox21_300494
    • CCG-39905
    • HB6627
    • NSC758452
    • s4544
    • STL257390
    • AKOS000118772
    • Tox21_111398_1
    • CS-4731
    • DB04827
    • FU28644

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.1
    methanol 143.52
    isopropanol 56.66
    water 75.27
    ethyl acetate 34.26
    n-propanol 53.9
    acetone 89.31
    n-butanol 40.86
    acetonitrile 67.29
    DMF 292.98
    toluene 8.32
    isobutanol 35.12
    1,4-dioxane 63.06
    methyl acetate 44.93
    THF 102.71
    2-butanone 48.62
    n-pentanol 27.03
    sec-butanol 41.74
    n-hexane 2.68
    ethylene glycol 62.16
    NMP 276.95
    cyclohexane 1.5
    DMSO 285.84
    n-butyl acetate 13.48
    n-octanol 12.87
    chloroform 23.34
    n-propyl acetate 15.21
    acetic acid 195.04
    dichloromethane 34.64
    cyclohexanone 58.51
    propylene glycol 56.51
    isopropyl acetate 20.1
    DMAc 221.91
    2-ethoxyethanol 66.03
    isopentanol 27.71
    n-heptane 1.28
    ethyl formate 46.48
    1,2-dichloroethane 24.9
    n-hexanol 15.29
    2-methoxyethanol 141.16
    isobutyl acetate 8.81
    tetrachloromethane 4.0
    n-pentyl acetate 14.45
    transcutol 96.24
    n-heptanol 9.65
    ethylbenzene 4.26
    MIBK 20.79
    2-propoxyethanol 46.45
    tert-butanol 56.07
    MTBE 27.06
    2-butoxyethanol 26.15
    propionic acid 73.82
    o-xylene 8.54
    formic acid 175.84
    diethyl ether 24.06
    m-xylene 7.12
    p-xylene 6.73
    chlorobenzene 13.71
    dimethyl carbonate 24.75
    n-octane 0.79
    formamide 185.53
    cyclopentanone 98.93
    2-pentanone 37.08
    anisole 19.17
    cyclopentyl methyl ether 33.85
    gamma-butyrolactone 142.99
    1-methoxy-2-propanol 84.24
    pyridine 48.14
    3-pentanone 26.16
    furfural 140.66
    n-dodecane 0.92
    diethylene glycol 54.79
    diisopropyl ether 5.84
    tert-amyl alcohol 43.56
    acetylacetone 49.66
    n-hexadecane 0.99
    acetophenone 22.86
    methyl propionate 36.53
    isopentyl acetate 12.66
    trichloroethylene 40.08
    n-nonanol 11.83
    cyclohexanol 28.23
    benzyl alcohol 23.29
    2-ethylhexanol 8.43
    isooctanol 8.25
    dipropyl ether 8.45
    1,2-dichlorobenzene 13.48
    ethyl lactate 17.36
    propylene carbonate 55.45
    n-methylformamide 135.42
    2-pentanol 22.09
    n-pentane 2.45
    1-propoxy-2-propanol 26.35
    1-methoxy-2-propyl acetate 20.97
    2-(2-methoxypropoxy) propanol 37.04
    mesitylene 4.79
    ε-caprolactone 57.5
    p-cymene 4.17
    epichlorohydrin 86.09
    1,1,1-trichloroethane 14.42
    2-aminoethanol 78.72
    morpholine-4-carbaldehyde 175.3
    sulfolane 189.39
    2,2,4-trimethylpentane 1.85
    2-methyltetrahydrofuran 58.36
    n-hexyl acetate 22.37
    isooctane 0.98
    2-(2-butoxyethoxy)ethanol 41.7
    sec-butyl acetate 10.44
    tert-butyl acetate 22.03
    decalin 1.61
    glycerin 98.7
    diglyme 60.04
    acrylic acid 86.12
    isopropyl myristate 9.65
    n-butyric acid 63.86
    acetyl acetate 25.75
    di(2-ethylhexyl) phthalate 15.72
    ethyl propionate 17.17
    nitromethane 237.09
    1,2-diethoxyethane 19.35
    benzonitrile 24.8
    trioctyl phosphate 10.18
    1-bromopropane 13.05
    gamma-valerolactone 152.15
    n-decanol 8.81
    triethyl phosphate 10.61
    4-methyl-2-pentanol 11.81
    propionitrile 32.3
    vinylene carbonate 55.52
    1,1,2-trichlorotrifluoroethane 75.4
    DMS 23.74
    cumene 4.25
    2-octanol 8.22
    2-hexanone 18.09
    octyl acetate 13.53
    limonene 6.02
    1,2-dimethoxyethane 75.89
    ethyl orthosilicate 9.48
    tributyl phosphate 12.58
    diacetone alcohol 39.58
    N,N-dimethylaniline 16.99
    acrylonitrile 52.92
    aniline 27.84
    1,3-propanediol 80.99
    bromobenzene 9.05
    dibromomethane 18.39
    1,1,2,2-tetrachloroethane 30.01
    2-methyl-cyclohexyl acetate 12.55
    tetrabutyl urea 18.25
    diisobutyl methanol 5.86
    2-phenylethanol 16.02
    styrene 5.56
    dioctyl adipate 16.42
    dimethyl sulfate 62.67
    ethyl butyrate 12.04
    methyl lactate 36.91
    butyl lactate 17.84
    diethyl carbonate 10.12
    propanediol butyl ether 34.61
    triethyl orthoformate 11.03
    p-tert-butyltoluene 4.27
    methyl 4-tert-butylbenzoate 29.02
    morpholine 81.81
    tert-butylamine 25.75
    n-dodecanol 6.75
    dimethoxymethane 76.23
    ethylene carbonate 39.92
    cyrene 41.04
    2-ethoxyethyl acetate 23.08
    2-ethylhexyl acetate 9.77
    1,2,4-trichlorobenzene 19.38
    4-methylpyridine 52.15
    dibutyl ether 9.27
    2,6-dimethyl-4-heptanol 5.86
    DEF 60.75
    dimethyl isosorbide 52.31
    tetrachloroethylene 18.62
    eugenol 29.43
    triacetin 27.73
    span 80 30.32
    1,4-butanediol 32.49
    1,1-dichloroethane 20.04
    2-methyl-1-pentanol 20.96
    methyl formate 97.96
    2-methyl-1-butanol 29.4
    n-decane 1.34
    butyronitrile 33.84
    3,7-dimethyl-1-octanol 10.98
    1-chlorooctane 5.08
    1-chlorotetradecane 2.69
    n-nonane 1.22
    undecane 1.06
    tert-butylcyclohexane 1.68
    cyclooctane 0.71
    cyclopentanol 47.19
    tetrahydropyran 35.39
    tert-amyl methyl ether 23.55
    2,5,8-trioxanonane 51.49
    1-hexene 7.09
    2-isopropoxyethanol 33.44
    2,2,2-trifluoroethanol 74.23
    methyl butyrate 24.44

    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