ChemicalBook CAS DataBase List 91-08-7

91-08-7

Name	2-METHYL-M-PHENYLENE DIISOCYANATE
CAS	91-08-7
EINECS(EC#)	202-039-0
Molecular Formula	C9H6N2O2
MDL Number	MFCD00002010
Molecular Weight	174.16
MOL File	91-08-7.mol

Synonyms

2,6-DIISOCYANATOTOLUENE 2,6-TDI 2,6-TOLUENEDIISOCYANATE 2,6-TOLYLENE DIISOCYANATE 2-METHYL-1,3-PHENYLENE DIISOCYANATE 2-METHYL-M-PHENYLENE DIISOCYANATE TOLUENE-2,6-DIISOCYANATE TOLYLENE 2,6-DIISOCYANATE 1,3-diisocyanato-2-methyl-benzen 1,3-Diisocyanato-2-methylbenzene 1,3-diisocyanato-2-methyl-Benzene 2,6-diisocyanato-1-methyl-benzen 2,6-Diisocyanato-1-methylbenzene 2,6-Toluenediiosocyanate 2-Methyl-meta-phenylene diisocyanate 2-Methyl-meta-phenylene isocyanate 2-methyl-meta-phenylenediisocyanate 2-methyl-meta-phenyleneisocyanate 2-Methyl-m-phenylene isocyanate 2-methyl-m-phenyleneisocyanate

Chemical Properties

Appearance	colourless liquid
Melting point	13°C
Boiling point	129-133 °C18 mm Hg(lit.)
density	1.225 g/mL at 25 °C(lit.)
vapor pressure	2.78Pa at 25℃
refractive index	n20/D 1.571(lit.)
Fp	>230 °F
storage temp.	−20°C
form	Liquid
color	Clear colorless to light yellow
Stability:	Stability Reacts violently with water. Reacts very rapidly with compounds containing an active hydrogen, such as amines, alcohols and acids. Polymerizes rapidly in the presence of base. Combustible. Incompatible with strong oxidizing agents.
Water Solubility	It hydrolyzes in water.
Sensitive	Moisture Sensitive
BRN	2211546
Exposure limits	ACGIH: TWA 0.001 ppm; STEL 0.005 ppm (Skin)
InChI	1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
InChIKey	RUELTTOHQODFPA-UHFFFAOYSA-N
SMILES	Cc1c(cccc1N=C=O)N=C=O
LogP	3.74
CAS DataBase Reference	91-08-7(CAS DataBase Reference)
EPA Substance Registry System	Toluene-2,6-diisocyanate (91-08-7)

Safety Data

Symbol(GHS)	GHS06,GHS08
Signal word	Danger
Hazard statements	H315-H317-H319-H330-H334-H335-H351-H412
Precautionary statements	P202-P273-P280-P302+P352-P304+P340+P310-P305+P351+P338
Hazard Codes	T+
Risk Statements	R26:Very Toxic by inhalation. R36/37/38:Irritating to eyes, respiratory system and skin . R40:Limited evidence of a carcinogenic effect. R42/43:May cause sensitization by inhalation and skin contact . R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . less more
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S36/37:Wear suitable protective clothing and gloves . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S61:Avoid release to the environment. Refer to special instructions safety data sheet . less more
RIDADR	UN 2078 6.1/PG 2
WGK Germany	2
RTECS	CZ6310000
F	8-10-19-21
Autoignition Temperature	>1148 °F
TSCA	Yes
REACH Registrations	Inactive
HazardClass	6.1
PackingGroup	II
HS Code	29291090
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 2 Inhalation Aquatic Chronic 3 Carc. 2 Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3
Safety Profile	Confirmed carcinogen. Poison by ingestion and inhalation. Human systemic effects by inhalation: olfactory, eye, and pulmonary changes. Flammable liquid. When heated to decomposition it emits toxic fumes of NOx. See also CYANATES. less more
Hazardous Substances Data	91-08-7(Hazardous Substances Data)

Hazard Information

General Description

Liquid. Used in the manufacture of polyurethane foams, elastomers, and coatings; crosslinking agent for nylon 6.

Reactivity Profile

TOLUENE-2,6-DIISOCYANATE reacts violently with amines, alcohols, bases and warm water, causing fire and explosion hazards. [Handling Chemcials Safely 1980. p. 907]. Reaction with water to form Carbon Dioxide [Merck 11th ed. 1989].

Health Hazard

Classified as slightly toxic orally. Probable oral lethal dose in humans is 5 to 15 g/kg or between 1 pint and 1 quart for a 70 (l50 lb.) person. Particularly poisonous when breathed. This is among the most poisonous of isocyanates. Acute and chronic exposures to low concentrations may produce asthmatic attacks.

Fire Hazard

When heated to decomposition, TOLUENE-2,6-DIISOCYANATE emits toxic fumes of nitrogen oxides. Ventilation should be adequate. If polyurethane products are heated, protection against isocyanate release is necessary. Avoid decomposing heat.

Chemical Properties

colourless liquid

Uses

2,6-TDI may be used as a reference standard for the quantification of residual 2,6-TDI in foam samples using high performance liquid chromatography coupled to coordination-ionspray tandem mass spectrometry (HPLC-CIS-MS/MS).

Uses

2-Methyl-m-phenylene Diisocyanate is used in method for preparing breathable sweat-absorbing EVA foam shoe material.

Definition

ChEBI: A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring.

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 257, 1995 DOI: 10.1021/jo00106a044

Flammability and Explosibility

Nonflammable

Purification Methods

It is purified by fractional distillation in a vacuum. Store it under N2 in sealed dark ampoules as it is water and light sensitive. Like the preceding 2,4-isomer, it has a sharp pungent odour, is TOXIC and is IRRITATING TO THE EYES. [Beilstein 13 IV 259.]

Toxics Screening Level

The Initial Threshold Screening Level (ITSL) for TDI is 0.07 μg/m3 (annual average). The Second ITSL for TDI is 0.4 μg/m3 (8-hr average). The Initial Risk Screening Level for TDI is 0.03 μg/m3 (annual average). The Secondary Risk Screening Level for TDI is 0.3 μg/m3 (annual average)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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