ChemicalBook CAS DataBase List 838-88-0

838-88-0

Name	4,4'-DIAMINO-3,3'-DIMETHYLDIPHENYLMETHANE
CAS	838-88-0
EINECS(EC#)	212-658-8
Molecular Formula	C15H18N2
MDL Number	MFCD00126963
Molecular Weight	226.32
MOL File	838-88-0.mol

Synonyms

3,3'-DIMETHYL-4,4'-DIAMINODIPHENYLMETHANE 4,4'-DIAMINO-3,3'-DIMETHYLDIPHENYLMETHANE 4,4'-METHYLENE-BIS(2-METHYLANILINE) 4,4'-METHYLENEBIS-O-TOLUIDINE 4,4'-METHYLENE-DI(O-TOLUIDINE) 4,4’-methylenebis(2-methyl-anilin 4,4’-methylenebis(2-methyl-benzenamin 4,4’-methylenebis(2-methylbenzenamine) 4,4’-methylenebis[2-methyl-benzenamin 4,4’-methylenedi-o-toluidin bis(4-amino-3-methylphenyl)-methan bis(4-amino-3-methylphenyl)methane bis-4-amino-3-methylfenylmethan mbot me-mda 4-(4-amino-3-methylbenzyl)-2-methylbenzenamine 3,3'-Dimethyl-4,4'-diaminobiphenylmethane 4,4-DIAMINO-3,3-DIMETHYLDIPHENYL-METHAN 4,4-METHYLENE-BIS(2-METHYLANILINE),STAND ARD FOR GC 2,2'-Dimethyl-4,4'-methylenedianiline

Chemical Properties

Melting point	155-157 °C
Boiling point	357.94°C (rough estimate)
density	0.9543 (rough estimate)
vapor pressure	1.8hPa at 205.5℃
refractive index	1.5000 (estimate)
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
solubility	Chloroform (Slightly), Methanol (Slightly)
Water Solubility	Insoluble in water
form	neat
pka	5.18±0.25(Predicted)
color	White to Light yellow to Light orange
BRN	398069
Major Application	cleaning products cosmetics environmental food and beverages personal care
InChI	1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3
InChIKey	WECDUOXQLAIPQW-UHFFFAOYSA-N
SMILES	Cc1cc(Cc2ccc(N)c(C)c2)ccc1N
CAS DataBase Reference	838-88-0(CAS DataBase Reference)
IARC	2B (Vol. 4, Sup 7) 1987
EPA Substance Registry System	838-88-0(EPA Substance)

Safety Data

Hazard Codes	T,N
Risk Statements	R45:May cause cancer. R22:Harmful if swallowed. R43:May cause sensitization by skin contact. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . less more
Safety Statements	S53:Avoid exposure-obtain special instruction before use . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S60:This material and/or its container must be disposed of as hazardous waste . S61:Avoid release to the environment. Refer to special instructions safety data sheet . less more
RIDADR	UN 3077 9/PG 3
WGK Germany	3
RTECS	BY5300000
F	10-23
TSCA	TSCA listed
REACH Registrations	Active
HazardClass	6.1(b)
PackingGroup	III
HS Code	29215900
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Carc. 1B Skin Sens. 1
Safety Profile	Confirmed carcinogen with experimental carcinogenic data. Moderately toxic by ingestion. An eye irritant. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. less more

Hazard Information

Chemical Properties

White powder. Soluble in ethanol and hot water.

Uses

4,4′-Methylene-bis(2-methylaniline) has been used as a reference standard for the determination of 4,4′-methylene-bis(2-methylaniline) in plastic multilayer food packaging materials by liquid chromatography (LC)-Orbitrap-full scan-high resolution mass spectrometry (HRMS).
It may be used as a reference standard for the analysis of 4,4′-methylene-bis(2-methylaniline) in dyes, cosmetics, finger paints and inks for pens and tattoos by LC-MS.

Uses

4,4'-Diamino-3,3'-dimethyldiphenylmethane can be used for preparation polyimide and epoxy resin material.

Definition

ChEBI: 4,4'-Methylene bis(2-methylaniline) is a diarylmethane.

General Description

4,4′-Methylene-bis(2-methylaniline) belongs to the primary aromatic amines (PAAs) family of compounds which are toxic in nature and are probable human carcinogens.

Synthesis

50-00-0

95-53-4

4,4'-DIAMINO-3,3'-DIMETHYLDIPHENYLMETHANE

838-88-0

(1) o-toluidine, water and 37% hydrochloric acid were added into the reactor in the ratio of o-toluidine to hydrochloric acid at the molar ratio of 1:1.2 and the weight ratio of o-toluidine to water at the ratio of 1:4, and the reaction was stirred for 30 minutes; (2) the 37% formaldehyde solution was diluted to 10%; (3) the reaction solution from step (1) and the diluted formaldehyde solution from step (2) were transported via advective pumps to each of the microreactor's two inlets, controlling the molar ratio of o-toluidine to formaldehyde to be 3:1; (4) in the microreactor, the two raw materials were contacted, mixed and reacted, the reaction temperature was controlled at 40 °C, the liquid-time air velocity was 3000 h-1, and the reacted solution flowed out from the reactor outlet; (5) the reaction solution was cooled down to room temperature, and the aqueous sodium hydroxide was added dropwise to adjust pH to about 9, and a large amount of white precipitate precipitated, which was filtered, drying to obtain 3,3'-dimethyl-4,4'-diaminodiphenylmethane (MDT) crude product; (6) the crude MDT was recrystallized by ethanol, filtered and dried to obtain the pure MDT with a molar yield of 86% and a purity of 99%.

References

[1] Patent: CN106986777, 2017, A. Location in patent: Paragraph 0043-0055; 0057; 0059; 0061; 0063; 0065
[2] Catalysis Communications, 2014, vol. 45, p. 69 - 73
[3] Journal of the American Chemical Society, 1935, vol. 57, p. 887,889
[4] Journal of the American Chemical Society, 1934, vol. 57, p. 1944
[5] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982, vol. 21, # 8, p. 721 - 723

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