Diisopropanolamine

HCID 8086CAS 110-97-4

Basic information

Standard SMILES
CC(O)CNCC(C)O
InChIKey
LVTYICIALWPMFW-UHFFFAOYSA-N
Molecular formula
C6H15NO2
Average molar mass
133.19 g/mol
Monoisotopic mass
133.11027872

Overview

Diisopropanolamine appears as colorless liquid or white to yellow crystalline solid with an odor of dead fish or ammonia. Liquid floats and mixes with water. Solid sinks and mixes in water. (USCG, 1999)

Names & identifiers

Preferred name
Diisopropanolamine
IUPAC
1-(2-hydroxypropylamino)propan-2-ol
English name
Diisopropanolamine
Molecular formula
C6H15NO2
Molecular weight
133.1888

Names & synonyms

DIISOPROPANOLAMINE110-97-4Bis(2-hydroxypropyl)amineBis(2-propanol)amine1,1'-Iminodi-2-propanol2-Propanol, 1,1'-iminobis-Di-2-propanolaminedi-isopropanolamineDIPA (alcohol)Dipropyl-2,2'-dihydroxy-amineN,N-Bis(2-hydroxypropyl)amine1,1'-Iminobis-2-propanol
Show more names
2-Propanol, 1,1'-iminodi-DTXSID8020179NSC-49630W44HYL8T5DTXCID201791,1'-Iminobis[2-propanol]CHEBI:1432661,1'-IMINOBIS(2-PROPANOL)

Database identifiers

CAS
110-97-4
PubChem CID
8086
DTXSID
DTXSID8020179
ChEMBL
CHEMBL2106303
ChEBI
CHEBI:143266
UNII
0W44HYL8T5
EC Number
203-820-9
Nikkaji
J5.102K

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
52.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Polymers · 2 items

Plastics -> N.a.

Plastics -> Other stabilisers

CosmeticsCosmetic ingredients (Diisopropanolamine) -> CIR (Cosmetic Ingredient Review)
pHpH of 5% aqueous solution = 11.5
LogP · 2 items

log Kow= -0.82

-0.82

Density · 3 items

0.99 at 107.6 °F (USCG, 1999) - Less dense than water; will float

0.989 at 20 °C/4 °C

Relative density (water = 1): 0.99

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319
Precautionary statements
305 · P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1635) of reports.

Danger

H318 (51.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Hazard information

Regulatory Information · 4 items

Chemical: 2-Propanol, 1,1'-iminobis-

2-Propanol, 1,1'-iminobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,1'-iminobis- 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: 24-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13889

Diisopropanolamine: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Propanol, 1,1'-iminobis-: Human health tier I assessment
Fire Hazards · 2 items

This compound is combustible. (NTP, 1992)

Combustible. Finely dispersed particles form explosive mixtures in air.

Fire Potential · 2 items

Combustible when exposed to heat or flame...

Propanolamines burn when exposed to heat, flame, sparks, and powerful oxidizers. /Propanolamines/

Health HazardsVapor concentrations too low to irritate unless exposure is prolonged. Liquid will burn eyes and skin. (USCG, 1999)
Hazards Summary · 1 item

A skin, eye, and nasal irritant; No allergic or photoallergic dermatitis observed in 25 volunteers; Weak skin sensitization reported from occupational exposure; Causes burns to rabbit eyes; Causes severe necrosis to rabbit skin; [HSDB] An eye irritant; [eChemPortal: ESIS] Hypothermia, diarrhea, uncoordinated movements, and seizures observed in lethal-dose animal studies; [IUCLID] No effects on fetal development when administered by gavage to pregnant rats; No data on effects to human pregnancy; [REPROTOX] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Can be absorbed through skin; Inhalation may cause pulmonary edema; [MSDSonline]

Safety & protection

Fire Fighting · 2 items

Fire Extinguishing Agents Not to Be Used: Water or foam may cause frothing

Use water spray, powder, alcohol-resistant foam, 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 for medical attention.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

First Aid · 1 item

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.

Safe StorageSeparated from strong oxidants and strong acids. Dry. Keep in the dark. Well closed.
Fire Fighting Procedures · 2 items

To fight fire use alcohol foam, carbon dioxide, /or/ dry chemical.

Fire response: ...Wear goggles, self-contained breathing apparatus, and rubber overclothing (including gloves). ...Water may be ineffective on fire. Cool exposed containers with water.

Storage ConditionsSeparated from strong oxidants, strong acids. Dry. Keep in the dark. Well closed.

Toxicology

Ecotoxicity Values · 5 items

LC50 Carassium auratus (Goldfish) 1100 mg/L/24 hr; static

LC50 Xenopus laevis (Clawed frog) 410 mg/L/48 hr; static /formulated product/

LC50 Brachydanio rerio (Zebra Fish) >1000 -2200 mg/L/ 96 hr; static

LC50 Carassius auratus (Goldfish) 1100 mg/L/ 24 hr; static

For more Ecotoxicity Values (Complete) data for DIISOPROPANOLAMINE (8 total), please visit the HSDB record page.

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC) from a log Kow of -0.82(2) and a regression derived equation(3) indicates that diisopropanolamine is expected to have very high mobility in soil(SRC). A pKa value of 9.1(4) indicates that the protonated form of diisopropanolamine will be the dominant species in moist soil surfaces and cations adsorb more strongly than neutral species. Batch adsorption experiments indicated that the adsorption mechanism of diisopropanolamine involves ionic interaction at cation exchange sites of soils and clays, and tends to be greatest in materials that have a large cation exchange capacity such as montmorillonite(5). Volatilization of diisopropanolamine from moist soil surfaces will not be an important fate process since cations do not volatilize. Diisopropanolamine is not expected to volatilize from dry soil surfaces(SRC) based upon its extrapolated vapor pressure of 1.25X10-4 mm Hg at 25 °C(6). Screening studies using sewage sludge indicated that diisopropanolamine does not biodegrade readily(4,7).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC) from a log Kow of -0.82(2) and a regression derived equation(3) indicates that diisopropanolamine is not expected to adsorb to suspended solids and sediment in water(SRC). A pKa value of 9.1(4) indicates that the protonated form of diisopropanolamine will be the predominant species in water and cations adsorb more strongly to suspended solids and sediment than neutral species. Volatilization from water surfaces will not occur since cations do not volatilize(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Screening studies using sewage sludge indicated that diisopropanolamine does not biodegrade readily(4,7).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diisopropanolamine, which has a vapor pressure of 1.25X10-4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diisopropanolamine 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 1X10-10 cu cm/molecule-sec at 25 °C, that was derived using a structure estimation method(3). Diisopropanolamine is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum(SRC).

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
Toxicity Summary · 2 items

The Panel concludes that Diisopropanolamine, Triisopropanolamine, Isopropanolamine, and Mixed Isopropanolamines are safe as cosmetic ingredients in the present practices of use and concentration. The isopropanolamines should not be used in products containing N-nitrosating agents.

Safe for use in cosmetics, with qualifications

Signs and Symptoms · 4 items

Sore throat. Cough. Burning sensation. Shortness of breath. Laboured breathing. Symptoms may be delayed.

Pain. Redness. Blisters. Skin burns.

Pain. Redness. Severe deep burns.

Burning sensation. Abdominal cramps. Shock or collapse.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319
Precautionary statements
P305+P351+P338

Chemistry & industry

Pharmacology

Absorption, Distribution and Excretion · 2 items

19.5 mg/kg (14)C-DIPA in acetone /was applied dermally/ to an area of skin on the shoulder of four female Fisher 344 rats. After evaporation of the solvent /site of application remained covered for 48 hr/. At 48 hr 25% of the substance had penetrated the skin (12% excreted in the urine, 1% excreted in the feces and expired air, 12.5% remaining in the tissue and 73% was recovered from the application site and surroundings.

When 4 female Fischer-344 rats were injected iv with 19 mg (14)C-labelled diisopropanolamine in aqueous solution, more than 70% of the radioactivity was eliminated from the blood during the first 6 hr. About 90% of the dose was recovered from the urine within 12 hours.

Uses & manufacturing

Uses · 6 items

CIR ingredient: Diisopropanolamine

Used as chemical intermediate, emulsifying agent (polishes, textile specialties, leather compounds, insecticides, cold wave permanent hair solutions, and water paints), antimicrobial agent in cutting fluids, and for removal of hydrogen sulfide and carbon dioxide from natural and industrial gases; Also used in adhesives, paper and paperboard, coatings, food packaging, and in prescription drugs; [HSDB]

Metal Machining [Category: Heat or Machine]

Chemical intermediate; agent for removal of hydrogen sulfide from natural gas

Emulsifying agents for polishes, textile specialties, leather compounds, insecticides, cutting oils, and water paints

Emulsifying and neutralizing agent in cosmetics. Removal of hydrogen sulfide and carbon dioxide from natural and industrial gases. Antimicrobial agent in cutting fluids.

Impurities · 1 item

Commercial samples of diisopropanolamine... were found to contain 20-1300 ppb of N-nitrosobis(2-hydroxypropyl)amine, an agent that is absorbed through the skin of hamsters and is a strong carcinogen in hamsters, rats, mice, rabbits, and guinea pigs.

U.S. Exports · 3 items

(1972) No Data

(1975) No Data

(1986) No Data

U.S. Imports · 3 items

(1972) No Data

(1975) No Data

(1986) No Data

U.S. Production · 6 items

2023: 10,000,000 - <50,000,000 lb

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1986) No Data

For more U.S. Production (Complete) data for DIISOPROPANOLAMINE (9 total), please visit the HSDB record page.

Consumer UsesHydraulic fluids

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Diisopropanolamine is a secondary amino compound that is diethanolamine substituted by methyl groups at positions 1 and 1'. It is a versatile chemical used in a variety of personal care, cosmetic and industrial products. It has a role as a surfactant, an emulsifier and a buffer. It is a secondary amino compound, a secondary alcohol and an aminodiol. It is functionally related to a 1-aminopropan-2-ol.

Related reactions

22 records

Linked notes

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