CAS No.598-55-0,Methyl carbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	598-55-0
Name:	Methyl carbamate
Article Data:	88

Formula:	C₂H₅NO₂
Molecular Weight:	75.0672
Synonyms:	Methylurethane;NSC 3054;Urethylane;
EINECS:	209-939-2
Density:	1.092 g/cm³
Melting Point:	56-58 °C(lit.)
Boiling Point:	178.7 °C at 760 mmHg
Flash Point:	105.2 °C
Solubility:	700 g/L (20 °C) in water
Appearance:	white adhering crystals
Hazard Symbols:	Xn
Risk Codes:	36-40
Safety:	26-36/37-22
PSA:	52.32000
LogP:	0.41180

Synthetic route

: 67-56-1
methanol

: 57-13-6
urea

: 598-55-0
methyl carbamate

Conditions

Conditions	Yield
With alumina supported titanium dioxide-bismuth oxide metal oxide catalyst at 120℃; for 8h; Sealed tube;	99.41%
Stage #1: methanol; urea at 30℃; for 20h; Autoclave; Stage #2: With carbon dioxide; 6O4P(3-)5Ni(2+)5Ca(2+)*2F(1-) at 160℃; under 4500.45 Torr; for 6h; Temperature; Concentration;	98.9%
With silica supported titanium dioxide at 160℃; under 17251.7 Torr; for 8h; Temperature; Pressure; Inert atmosphere;	98%

: 57-13-6
urea

: 616-38-6
carbonic acid dimethyl ester

: 598-55-0
methyl carbamate

Conditions

Conditions	Yield
With Na-ZnO-ZrO2 / γ-Al2O3 at 180℃; for 6h; Temperature; Reagent/catalyst; Autoclave;	98.8%

: 80284-00-0
C9H10N2O6S

A: 598-55-0
methyl carbamate

B: ammonium salt of N-nitro-p-toluenesulfamide

Conditions

Conditions	Yield
With ammonia In diethyl ether for 0.0833333h;	A 78% B 92%

: 67-56-1
methanol

: 70678-13-6
1,2-bis(1-isocyanato-1-methylethyl)diazene

A: 112700-85-3
5,5-dimethyl-Δ1-1,2,4-triazolin-3-one

B: 598-55-0
methyl carbamate

C: 2-methoxy-2-methoxycarbonylaminopropane

D: [1-(1-Methoxycarbonylamino-1-methyl-ethylazo)-1-methyl-ethyl]-carbamic acid methyl ester

Conditions

Conditions	Yield
for 2h; Product distribution; Mechanism; Heating; other alcohols; var. reaction time; var. temperatures;	A 90% B n/a C n/a D n/a
for 2h; Heating; Yield given. Yields of byproduct given;

...Expand

: 671-50-1
methyl aziridine-1-carboxylate

A: 151-56-4
ethyleneimine

B: 598-55-0
methyl carbamate

Conditions

Conditions	Yield
With ammonia In ethanol at 18 - 25℃; for 24h;	A n/a B 90%

: 67-56-1
methanol

: 57-13-6
urea

A: 598-55-0
methyl carbamate

B: 616-38-6
carbonic acid dimethyl ester

Conditions

Conditions	Yield
at 179.84℃; for 10h;	A 84.8% B 6.5%
With zinc/aluminum mixed oxide at 179.84℃; for 10h; Reagent/catalyst; Autoclave;	A 55.1% B 36.5%
calcined La(NO3)3x6H2O at 170℃; under 14821 Torr; for 4h; Product distribution / selectivity; Autoclave; Inert atmosphere;	A 41.2% B 53.4%
With Zn/Ca-catalyst at 179.84℃; for 10h;	A 50.5% B 41.2%
With Ga2O3/CeO2-Al2O3 at 110℃; for 5h;

...Expand

: 67-56-1
methanol

: 590-28-3
potassium cyanate

: 598-55-0
methyl carbamate

Conditions

Conditions	Yield
With para-dodecylbenzenesulfonic acid In neat (no solvent) at 60℃; for 0.5h; Green chemistry;	80%
With DBSA at 60℃; for 1h;

: 79-22-1
methyl chloroformate

: 598-55-0
methyl carbamate

Conditions

Conditions	Yield
With triethylamine In methanol; dichloromethane; ethyl acetate	78%
With ammonia; benzene
With potassium hydrogencarbonate In water

: 67-56-1
methanol

: 2911-21-9
2,4-dioxo-6-methyl-3,4-dihydro-2H-1,3-oxazine

A: 105-45-3
acetoacetic acid methyl ester

B: 598-55-0
methyl carbamate

Conditions

Conditions	Yield
With triethylamine for 24h; Heating;	A 70% B 15%

...Expand

: 4651-91-6
3-cyano-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene

: 79-22-1
methyl chloroformate

: 598-55-0
methyl carbamate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In butanone	66%

Raw Materials

67-56-1

101970-86-9

60-29-7

7553-56-2

671-50-1

7664-41-7

463-72-9

506-77-4

Downstream Products

761-89-7

75-13-8

74-89-5

25017-47-4

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Specification

The Methyl carbamate, with the CAS registry number 598-55-0 and EINECS registry number 209-939-2, is also known as Methoxyformamide. And the molecular formula of this chemical is C₂H₅NO₂. It is a carbamate ester with th apperance of white adhering crystals. What's more, it is used by the textile industry to manufacture resins to be applied on polyester/cotton blend fabrics as durable-press finishes. And it is also used as intermediate in the pharmaceuticals and Pesticide industry. In addition, it is used as selective solvent for dutrex.

The physical properties of Methyl carbamate are as following: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.15; (8)ACD/KOC (pH 7.4): 10.15; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.399; (14)Molar Refractivity: 16.62 cm³; (15)Molar Volume: 68.7 cm³; (16)Polarizability: 6.59×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.092 g/cm³; (19)Flash Point: 105.2 °C; (20)Enthalpy of Vaporization: 41.5 kJ/mol; (21)Boiling Point: 178.7 °C at 760 mmHg; (22)Vapour Pressure: 0.976 mmHg at 25°C.

Preparation of Methyl carbamate: Heat methyl alcohol to boil, and add urea with stirring. Reflux for 30 hours, and leach for 2 times with boiling sherwood oil. Collect the 175-177 °C distillates after fractionation, and the distillates are the desired product. The yield is about 75%.
1. ClCOOCH₃ + 2NH₃ → NH₂COOCH₃2. NH₂CONH₂ + CH₃OH → NH₂COOCH₃ + NH₃

You should be cautious while dealing with this chemical. It irritates eyes, and there's limited evidence of a carcinogenic effect about this chemical. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)N
(2)InChI: InChI=1/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
(3)InChIKey: GTCAXTIRRLKXRU-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	6200mg/kg (6200mg/kg)		National Toxicology Program Technical Report Series. Vol. NTP-TR-328, Pg. 1987,
mouse	LD50	subcutaneous	4450mg/kg (4450mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Australian Journal of Experimental Biology and Medical Science. Vol. 45, Pg. 507, 1967.
mouse	LDLo	intraperitoneal	200mg/kg (200mg/kg)		Toxicology and Applied Pharmacology. Vol. 23, Pg. 288, 1972.
quail	LD50	oral	21mg/kg (21mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Ecotoxicology and Environmental Safety. Vol. 8, Pg. 551, 1984.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 161, 1992.
rat	LD50	oral	2500mg/kg (2500mg/kg)		National Toxicology Program Technical Report Series. Vol. NTP-TR-328, Pg. 1987,