Trimethylhexa-1,6-diyl diisocyanate

HCID 3033881

Grundinformationen

CAS
195456-49-6
Standard-SMILES
CC(CCCCN=C=O)C(C)(C)N=C=O
InChIKey
VZXPHDGHQXLXJC-UHFFFAOYSA-N
Summenformel
C11H18N2O2
Durchschnittliche Molmasse
210,27 g/mol
Monoisotopische Masse
210,13682782

Namen und Bezeichner

Bevorzugter Name
Trimethylhexa-1,6-diyl diisocyanate
IUPAC
1,6-diisocyanato-5,6-dimethylheptane
Englischer Name
Trimethylhexamethylene diisocyanate
Summenformel
C11H18N2O2
Molmasse
210.27

Namen und Synonyme

Hexane, 1,6-diisocyanatotrimethyl-Trimethylhexa-1,6-diyl diisocyanate1,6-DiisocyanatotrimethylhexaneEINECS 249-151-6RefChem:899837249-151-6Trimethylhexamethylene diisocyanate28679-16-51,6-diisocyanato-5,6-dimethylheptaneTRIMETHYL HEXAMETHYLENE DIISOCYANATEtrimethyl-1,6-diisocyanatohexane195456-49-6
Weitere Namen anzeigen
TMDIDiisocyanatotrimethylhexyl(2,2,4- and 2,4,4- Mixture)Trimethylhexyl diisocyanatetrimethylhexamethyleneisocyanateTrimethylhexa-1,6-diyldiisocyanat
SCHEMBL54554DTXSID60951342trimethyl-hexamethylene diisocyanateDBA67916UN2328AKOS0281097291,6-diisocyanato-5,6-dimethyl-heptaneNS00048530

Datenbank-Bezeichner

CAS
195456-49-6、28679-16-5
PubChem CID
3033881
DTXSID
DTXSID60951342
EC Number
249-151-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,2
Polarare Oberfläche (TPSA)
58,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
7
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

Vapor Density7.3 (USCG, 1999) - Heavier than air; will sink (Relative to Air)
Physical DescriptionTrimethylhexamethylene diisocyanate appears as a colorless liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

Physikochemische Eigenschaften

Siedepunkt
149 °C · 149°C
Dichte
1 · 1,02 g/cm3
Brechungsindex
1.462 to · 1.4620 to 1.4640
EPA chemische Informationen
1 · Hexane, 1,6-diisocyanatotrimethyl- (28679-16-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 93.3% (14 of 15) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 14 of 15 companies (only 6.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 14 of 15 reports by companies.;There is 1 notification provided by 1 of 15 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

DOT LabelPoison
Fire Hazards · 2 Einträge

Combustible POISONOUS GASES ARE PRODUCED IN FIRE. Undergoes decomposition to yield toxic fumes including NOx, and it may react violently with alcohols in the presence of a base. (USCG, 1999)

· Combustible material: may burn but does not ignite readily.;· Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff.;· When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.;· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapors may travel to source of ignition and flash back.;· Corrosives in contact with metals may evolve flammable hydrogen gas.;· Containers may explode when heated or if contaminated with water.

Health Hazards · 2 Einträge

CALL FOR MEDICAL AID. VAPOR: POISONOUS. MAY BE FATAL IF INHALED OR ABSORBED THOUGH SKIN. Contact may cause burns to skin and eyes. Move to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. LIQUID: POISONOUS. MAY BE FATAL IF SWALLOWED OR ABSORBED THROUGH SKIN: Contact may burn skin and eyes. Immediately flush skin or eyes with running water for at least 15 minutes. Speed in removing from skin is of extreme importance. Remove and isolate contaminated clothing and shoes at the site. Keep victim quiet and maintain normal body temperature. Effects may be delayed; keep victim under observation. If swallowed and victim is UNCONSCIOUS OR HAVING CONVULSIONS, do nothing except keep victim warm. INHALATION: Poisonous; may be fatal if inhaled. SKIN and EYES: May cause burns. Poisonous, may be fatal if absorbed though skin. INGESTION: Poisnous; May be fatal if swallowed. (USCG, 1999)

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.;· Contact with molten substance may cause severe burns to skin and eyes.;· Reaction with water or moist air may release toxic, corrosive or flammable gases.;· Reaction with water may generate much heat that will increase the concentration of fumes in the air.;· Fire will produce irritating, corrosive and/or toxic gases.;· Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination.

DOT ID and Guide2328 156
Reactive GroupIsocyanates and Isothiocyanates
Reactivity AlertsWater-Reactive

Sicherheit und Schutzausrüstung

Fire Fighting · 1 Eintrag

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:;Note: Most foams will react with the material and release corrosive/toxic gases. CAUTION: For Acetyl bromide (UN1716), use CO2 or dry chemical only.;SMALL FIRE: CO2, dry chemical, dry sand, alcohol-resistant foam.;LARGE FIRE: Water spray, fog or alcohol-resistant foam. FOR CHLOROSILANES, DO NOT USE WATER; use alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Avoid aiming straight or solid streams directly onto the product.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· All equipment used when handling the product must be grounded.;· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.;· Stop leak if you can do it without risk.;· A vapor-suppressing foam may be used to reduce vapors.;· FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors.;· DO NOT GET WATER on spilled substance or inside containers.;· Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material.;· Prevent entry into waterways, sewers, basements or confined areas.;Small Spill;· Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain.;· Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal.

First Aid · 2 Einträge

INHALATION: Move victim to fresh air; call emergency medical care. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.;EYES OR SKIN: Immediately flush with running water for at least 15 minutes. Hold eyelids open if necessary. Speed in removing material from skin is of exteme importance. Remove and isolate contaminated clothing and shoes at the site. Keep victim quiet and maintain normal body temperature. Effects may be delayed; keep victim under observation.;INGESTION: If the victim is unconscious or having convulsions, do nothing except keep victim warm. (USCG, 1999)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required.

Exposure Control and Personal Protection · 1 Eintrag

· Wear positive pressure self-contained breathing apparatus (SCBA).;· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

Nonfire Spill Response · 1 Eintrag

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. A vapor-suppressing foam may be used to reduce vapors. FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors. DO NOT GET WATER on spilled substance or inside containers. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Prevent entry into waterways, sewers, basements or confined areas.;SMALL SPILL: Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. (ERG, 2024)

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Immediate precautionary measure;· Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;Spill;· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.;· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.;Fire;· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

Sicherheitsdaten

ridadr
UN 2328
hs_code
2929.10.8090
risk_code
23/24/25-40-42-36/37/38-23
hazard_code
T
safety_code
26-36/37/39-45-38-28
hazard_class
6.1

Chemie und Industrie

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