Diisopropylamine

HCID 7912CAS 108-18-9

Basic information

Standard SMILES
CC(C)NC(C)C
InChIKey
UAOMVDZJSHZZME-UHFFFAOYSA-N
Molecular formula
C6H15N
Average molar mass
101.19 g/mol
Monoisotopic mass
101.12044948

Names & identifiers

Preferred name
Diisopropylamine
IUPAC
N-propan-2-ylpropan-2-amine
English name
Diisopropylamine
Molecular formula
C6H15N
Molecular weight
101.19

Names & synonyms

DIISOPROPYLAMINE108-18-9N,N-DiisopropylamineN-(1-Methylethyl)-2-propanamine2-Propanamine, N-(1-methylethyl)-DTXSID9025085BR9JLI40NONSC-6758DTXCID905085RefChem:5756203-558-5N-isopropylpropan-2-amine
Show more names
diisopropyl amineN-propan-2-ylpropan-2-amineBis(Propan-2-Yl)Aminebis(isopropyl)amineN-Isopropyl-1-amino-2-methylethaneNSC 6758MFCD00008862N-(propan-2-yl)propan-2-amine

Database identifiers

CAS
108-18-9
PubChem CID
7912
DTXSID
DTXSID9025085
ChEMBL
CHEMBL1450356
UNII
BR9JLI40NO
EC Number
203-558-5
Nikkaji
J1.496F

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

pHStrongly alkaline
LogP · 2 items

log Kow= 1.4

1.64

Odor... Ammonia or fish-like odor.
Density · 6 items

0.717 at 68 °F (USCG, 1999) - Less dense than water; will float

0.7169 @ 20 °C/4 °C

Relative density (water = 1): 0.72

0.72

0.715 @ 20°C

0.72

Viscosity0.40 cP @ 25 °C
Color/FormColorless liquid ...

Physicochemical properties

Melting point
-61 °C · -61 °C
Boiling point
84 °C · 84 °C
Density
0.7169 g/cm3 · 0.7169 g/cm3
pka
10.76 · 10.76±0.29(Predicted)
Symbol(GHS)
2 · GHS02,GHS05,GHS06
Signal word
Danger

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids];H302: Harmful if swallowed [Warning Acute toxicity, oral];H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

Hazard information

Regulatory Information · 5 items

Chemical: 2-Propanamine, N-(1-methylethyl)-

2-Propanamine, N-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, N-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13145;Status: Active Update: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33964

2-Propanamine, N-(1-methylethyl)-: HSNO Approval: HSR001132 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid Corrosive
Fire Hazards · 3 items

Special Hazards of Combustion Products: Toxic oxides of nitrogen may form in fires.;Behavior in Fire: Vapor is heavier than air and may travel to a source of ignition and flash back. (USCG, 1999)

· Flammable/combustible material.;· May be ignited by heat, sparks or flames.;· Vapors may form explosive mixtures with air.;· Vapors may travel to source of ignition and flash back.;· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapor explosion hazard indoors, outdoors or in sewers.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Runoff to sewer may create fire or explosion hazard.;· Containers may explode when heated.;· Many liquids will float on water.

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. Risk of fire and explosion on contact with strong oxidizing agents.

Fire PotentialFlammable; severe fire hazard
Health Hazards · 2 items

Inhalation of vapors causes irritation, sometimes with nausea and vomiting; can also cause burns to the respiratory system. Ingestion causes irritation of mouth and stomach. Vapor irritates eyes; liquid causes severe burn, like caustic. Contact with skin causes irritation. (USCG, 1999)

· May cause toxic effects if inhaled or ingested.;· Contact with substance may cause severe burns to skin and eyes.;· Fire will produce irritating, corrosive and/or toxic gases.;· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.;· Runoff from fire control or dilution water may cause environmental contamination.

Hazards Summary · 1 item

Liquid causes first degree burns on short exposure; [CHRIS] Corrosive to skin; [Quick CPC] Diisopropylamine is a severe pulmonary irritant in acute and chronic animal studies. At concentrations of 25 to 50 ppm, workers have experienced transient corneal injury, nausea, and headache. [ACGIH] A corrosive substance that causes lacrimation and may cause lung edema after inhalation of high concentrations; [ICSC]

Safety & protection

Fire Fighting · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:;Some of these materials may react violently with water.;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.;LARGE FIRE: Water spray, fog or alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Do not get water inside containers.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. 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. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use alcohol-resistant foam, water, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 items

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse skin with plenty of water or shower for at least 15 minutes. Refer immediately for medical attention.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.

Rinse mouth. Give nothing to drink. Do NOT induce vomiting. Refer immediately for medical attention.

Accidental Release Measures · 2 items

· 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 or walk through spilled material.;· Stop leak if you can do it without risk.;· Prevent entry into waterways, sewers, basements or confined areas.;· A vapor-suppressing foam may be used to reduce vapors.;· Absorb with earth, sand or other non-combustible material.;· For hydrazine, absorb with DRY sand or inert absorbent (vermiculite or absorbent pads).;· Use clean, non-sparking tools to collect absorbed material.;Large Spill;· Dike far ahead of liquid spill for later disposal.;· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

First Aid · 3 items

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. Volatile chemicals have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

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.

(General first aid procedures);Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: Water wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and wash the skin with water. If symptoms occur after washing, get medical attention immediately.;Breathing: Respiratory support;Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

Safe StorageFireproof. Separated from strong oxidants, strong acids and food and feedstuffs. Store only in original container. Store in an area without drain or sewer access.
Firefighting HazardsVapors are heavier than air and may travel to a source of ignition and flash back.

Toxicology

Target OrgansEyes, skin, respiratory system
Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 140(SRC) from a log Kow of 1.4(2) and a regression derived equation(3) indicates that diisopropylamine is expected to have high mobility in soil(SRC). A pKa value of 11.07(4) indicates that the protonated form of diisopropylamine will be the dominant species in moist soil surfaces and cations generally adsorb to organic carbon and clays more strongly than their neutral counterparts(SRC). Volatilization of diisopropylamine from moist soil surfaces is not expected to be an important fate process since the cation will not volatilize. The potential for volatilization of diisopropylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 79.4 mm Hg at 25 °C(5). Based on screening tests(6,7), biodegradation may be an important fate process in soil, providing sufficient acclimation has occured. However, high concns of diisopropylamine (> 50 ppm) appear to be toxic to microorganisms and, thus, may reduce biodegradation(6,7).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 140(SRC) from a log Kow of 1.4(2) and a regression derived equation(3) indicates that diisopropylamine is not expected to adsorb to suspended solids and sediment in water(SRC). A pKa value of 11.07(4) indicates that the protonated form of diisopropylamine will be the predominant species in water and cations generally adsorb more strongly than their neutral counterparts. Volatilization from water surfaces is not expected to be important fate process(SRC) since the protonated form is not expected to volatilize at environmental pH. According to a classification scheme(5), an estimated BCF of 2(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Based on screening tests(7,8), biodegradation may be an important fate process in aquatic systems providing sufficient acclimation has occurred.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diisopropylamine, which has a vapor pressure of 79.4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diisopropylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 4 hours(SRC), from its rate constant of 9.7X10-11 cu cm/molecule-sec at 25 °C(3). Diisopropylamine is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum(SRC).

Food Survey ValuesDiisopropylamine was detected in raw beef at a concn of 0.05 ug/kg(1).
Adverse EffectsDermatotoxin - Skin burns.;Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Exposure Routes · 2 items

Serious local effects by all routes of exposure.

inhalation, skin absorption, ingestion, skin and/or eye contact

Toxicity Summary · 2 items

On the basis of the data presented in this report, the CIR Expert Panel concludes that Diisopropylamine is safe as a cosmetic ingredient as presently used. Diisopropylamine should not be used in products containing N-nitrosating agents.

Safe for use in cosmetics, with qualifications

Regulatory information

Regulatory Information · 5 items

Chemical: 2-Propanamine, N-(1-methylethyl)-

2-Propanamine, N-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, N-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13145;Status: Active Update: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33964

2-Propanamine, N-(1-methylethyl)-: HSNO Approval: HSR001132 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Safety data

ridadr
UN 1158
Signal word
Danger
Symbol(GHS)
GHS02,GHS05,GHS06
hazard_class
3
packing_group
II
Hazard statements
H225-H302-H314-H331-H335-H412

Chemistry & industry

Uses & manufacturing

Uses · 6 items

CIR ingredient: Diisopropylamine

Used as a catalyst and chemical intermediate; [ACGIH] Many aliphatic amines are used as curing agents for epoxy resins. [Sullivan, p. 473]

Plastic Composites Manufacturing [Category: Industry]

CATALYST; INTERMEDIATE

MEDICATION

Chemical intermediate in the synthesis of pharmaceuticals and pesticides (e.g. Diallate, Fenamiphos, and Triallate)

U.S. Production · 4 items

2023: 50,000 - <250,000 lb;2022: 50,000 - <250,000 lb;2021: <50,000 lb;2020: 250,000 - <550,000 lb

(1970) 5.45X10+8 G

(1975) PROBABLY GREATER THAN 4.54X10+5 G

(1983) 5,861,000 pounds

Industry UsesAbrasives;Cleaning agent;Intermediate
Methods of Manufacturing · 2 items

REACTION OF AMMONIA WITH ISOPROPYL ALCOHOL

From isopropyl chloride and ammonia

Formulations/Preparations · 2 items

GRADES OR PURITY: COMMERCIAL, 100%.

Grade: Technical.

General Manufacturing Information · 2 items

Pharmaceutical and Medicine Manufacturing;Computer and Electronic Product Manufacturing;All Other Basic Organic Chemical Manufacturing

2-Propanamine, N-(1-methylethyl)-: ACTIVE

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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