822-06-0
Product Name:
Hexamethylene Diisocyanate
Formula:
C8H12N2O2
Synonyms:
Hexamethylene diisocyanate;1,6-Diisocyanatohexane;4,4′-Diisocyanato-methylenedicyclohexane;4,4′-HMDI;4,4′-Methylene-bis(cyclohexyl isocyanate)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Hexamethylene diisocyanate appears as a colorless crystalline solid. Toxic by ingestion and is strongly irritating to skin and eyes. It is used to make nylon. |
|---|---|
| Color/Form | Liquid |
| Odor | Sharp, pungent odor |
| Boiling Point | 491 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -67 °F (NTP, 1992) |
| Flash Point | 284 °F (NTP, 1992) |
| Solubility | Reacts with water (NTP, 1992) |
| Density | 1.0528 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 5.81 (Air = 1) |
| Vapor Pressure | 0.05 mmHg at 75 °F (NTP, 1992) |
| LogP | 1.08 |
| Autoignition Temperature | 454 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Odor Threshold | The absolute perception limit is 0.001 ppm and 100% recognition at 0.02 ppm. |
| Refractive Index | Index of refraction: 1.4585 at 20 °C/D |
| Other Experimental Properties | Hexamethylene diisocyanate reacts with compounds that contain active hydrogens, such as water, ammonia, amines and alcohols; strong bases (such as tertiary amines, caustic soda and potash) can catalyze these reactions and result in uncontrolled polymerization |
| Chemical Classes | Plastics & Rubber -> Diisocyanates |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin H330:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.19 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 168.089877630 g/mol |
| Monoisotopic Mass | 168.089877630 g/mol |
| Topological Polar Surface Area | 58.9 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 169 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Hexamethylene diisocyanate is a pale yellow liquid with a strong odor. It is an industrial chemical that is not known to occur naturally. It is also commonly known as HDI, 1,6-hexamethylene diisocyanate, 1,6-diisocyanatohexane, Mondur HX, and Desmodur H. Hexamethylene diisocyanate is mainly used to make polyurethane foams and coatings. It is also used as a hardener in automobile and airplane paints.