StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

1-Aminopropan-2-ol

1-Amino-2-propanol

HCID 4
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
78-96-6
Standard-SMILES
CC(O)CN
InChIKey
HXKKHQJGJAFBHI-UHFFFAOYSA-N
Summenformel
C3H9NO
Durchschnittliche Molmasse
75,11 g/mol
Monoisotopische Masse
75,06841391

Überblick

Monoisopropanolamine appears as a colorless liquid with a slight ammonia-like odor. Less dense than water and soluble in water. Flash point 165 °F. Corrosive to metals and tissue. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion. Used in plastics, paints, cutting oils, and specialized cleaning compounds.

Namen und Bezeichner

Bevorzugter Name
1-Amino-2-propanol
IUPAC
1-aminopropan-2-ol
Lokaler Name
1-Aminopropan-2-ol
Englischer Name
Amino-2-propanol
Summenformel
C3H9NO
Molmasse
75.11

Namen und Synonyme

1-Aminopropan-2-ol1-AMINO-2-PROPANOLIsopropanolamineThreamineMonoisopropanolamineDL-1-Amino-2-propanol2-Hydroxypropylamine2-Propanol, 1-amino-1-Methyl-2-aminoethanol2-Amino-1-methylethanol2-Hydroxypropanamine1-Amino-2-hydroxypropane
Weitere Namen anzeigen
MIPA3-Amino-2-propanol1-AMINOISOPROPANOLDL-ISOPROPANOLAMINE
2-Hydroxy-1-propylaminealpha-Aminoisopropyl alcoholMono-iso-propanolamineCCRIS 22842-Hydroxy-1-propanamineDTXSID9021764HSDB 5224beta-Aminoisopropanol

Datenbank-Bezeichner

CAS
78-96-6
PubChem CID
4
DTXSID
DTXSID9021764
ChEMBL
CHEMBL326602
ChEBI
CHEBI:19030
UNII
UE40BY1BZW
EC Number
201-162-7
Nikkaji
J1.961E、J2.150D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1
Polarare Oberfläche (TPSA)
46,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
5
Formalladung
0
Komplexität
22,9

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Amines, Aliphatic

Flammable agents - 2nd degree

Cosmetics · 2 Einträge

Cosmetic ingredients (Isopropanolamine) -> CIR (Cosmetic Ingredient Review)

Buffering

LogP · 4 Einträge

log Kow= -0.96 (experimental)

-0.960

-1.0

-0.96

OdorSLIGHT AMMONIA ODOR
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 6 Einträge

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

0.9611 @ 20 °C/4 °C

0.96 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00

0.970-0.976

0.961

Viscosity24 mm²/s at 25 °C
Color/FormLIQUID
Solubility

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 3123) of reports.

Danger

H312 (83.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 2-Propanol, 1-amino-

2-Propanol, 1-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-amino- 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)

REACH registered substance: 1-aminopropan-2-ol (EC: 201-162-7)

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

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.)

Other Safety InformationIMAP assessments - 2-Propanol, 1-amino-: Environment tier I assessment
DOT LabelCorrosive
Fire Hazards · 2 Einträge

Special Hazards of Combustion Products: Irritating vapors generated when heated. (USCG, 1999)

Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 77 °C explosive vapour/air mixtures may be formed.

Health Hazards

Chemie und Industrie

Verwendung und Herstellung

Uses · 4 Einträge

CIR ingredient: Isopropanolamine

Used as an emulsifying agent and in dry cleaning soaps, soluble textile oils, wax removers, metal-cutting oils, cosmetics, emulsion paints, plasticizers, and insecticides; [Hawley] Used as a flavoring agent; [WHO]

Metal Machining [Category: Heat or Machine]

Emulsifying agent, drycleaning soaps, soluble textile oils, wax removers, metal cutting oils, cosmetics, emulsion paints, plasticizers, insecticides.

U.S. Production2023: 10,000,000 - <50,000,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Cosmetics -> Buffering

General Manufacturing Information · 2 Einträge

All Other Chemical Product and Preparation Manufacturing

2-Propanol, 1-amino-: ACTIVE

Anwendungen · 2 Einträge

OccurrenceReportedly present in sherry.

VerwendenAmino-2-propanol is used to study the effect of temperature and water content on the molecular structure and hydrogen bonding of amino-2-propanol, which has been examined by Fourier transform near-infrared (FT-NIR) spectroscopy. Also used in used in the synthesis of protein kinase CK2 inhibitors used in the treatment of neoplasia and other infective diseases.

Darstellung

synthetischeBy employing Salmonella, mutatant cobD, and aminopropanol

Zugehörige Reaktionen

335
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 12844
HRID 12844als Eduktuspto-grants-2010_06
Reaktionsgleichung von HRID 21064
HRID 21064als Eduktuspto-grants-2010_06
Reaktionsgleichung von HRID 22621
HRID 22621als Eduktuspto-grants-2005_02
Reaktionsgleichung von HRID 26389
HRID 26389als Eduktuspto-grants-1979_04
Reaktionsgleichung von HRID 69087
HRID 69087als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 71057
HRID 71057als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 83443
HRID 83443als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 84527
HRID 84527als Eduktuspto-grants-2014_09
Seite 1 von 42

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
· 6 Einträge

greater than or equal to 100 mg/mL at 67.6 °F (NTP, 1992)

SOL IN ALL PROPORTIONS IN WATER, ALC, ETHER, ACETONE, BENZENE, CARBON TETRACHLORIDE.

1.00E+06 mg/L @ 25 °C (exp)

Solubility in water: soluble

Soluble in water

Soluble (in ethanol)

Flash Point · 5 Einträge

171 °F (NTP, 1992)

76.6 °C

171 °F (77 °C) (closed cup)

77 °C c.c.

171 °F

Boiling Point · 6 Einträge

313 to 316 °F at 758 mmHg (NTP, 1992)

159.46 °C @ 760 MM HG

160.00 to 161.00 °C. @ 760.00 mm Hg

159.5 °C

160 °C

313-316 °F

Melting Point · 5 Einträge

34.5 °F (NTP, 1992)

1.74 °C

24.00 to 26.00 °C. @ 760.00 mm Hg

1 °C

34.5 °F

Physikochemische Eigenschaften

Schmelzpunkt
-2 °C · -2 °C (lit.)
Siedepunkt
160 °C · 160 °C (lit.)
Dichte
0.973 g/mL · 0.973 g/mL at 25 °C (lit.)
Dampfdichte
2.6 · 2.6 (vs air)
Dampfdruck
1 mm · <1 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.4478(lit.)
FEMA
3965 · 3965 | 1-AMINO-2-PROPANOL
Flammpunkt
165 °F · 165 °F
storage temp.
2 · 2-8°C
Löslichkeit
250 mg/mL · DMSO : 250 mg/mL (3328.45 mM; Need ultrasonic)
Aggregatzustand
Liquid
pka
12.92 · 12.92±0.35(Predicted)
Farbe
Clear
PH
11.3 · 11.3 (10g/l, H2O, 20℃)
Geruch (Odor)
slt ammonia odor
Geruchsart
fishy
Biologische Quelle
synthetic
Explosionsgrenze
1.9 · 1.9-10.4%(V)
Wasserlöslichkeit
freely soluble
JECFA Number
1591 · 1591
BRN
605275 · 605275
Henry's Law Constant
4.2 · 4.2×104 mol/(m3Pa) at 25℃, HSDB (2015)
Stabilität
Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic.
Major Application
cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care
Kosmetik-Inhaltsstoffe Funktionen
BUFFERING
InChI
1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
InChIKey
HXKKHQJGJAFBHI-UHFFFAOYSA-N
SMILES
CC(O)CN
LogP
-0.93 at · -0.93 at 23℃
Oberflächenspannung
37.6 mN/m · 37.6mN/m at 293.15K
CAS Datenbank
78 · 78-96-6(CAS DataBase Reference)
NIST chemische Informationen
2 · 2-Propanol, 1-amino-(78-96-6)
EPA chemische Informationen
Monoisopropanolamine (78-96-6)
Vapor irritates eyes and nose. Liquid causes local injury to mouth, throat, digestive tract, skin, and eyes. (USCG, 1999)
Hazards Summary · 2 Einträge

A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema; May be absorbed through skin; [ICSC] External application to rabbit eyes scored 7-9 on a scale of 1-10 (10 being most severe) for degree of injury after 24 hours; [HSDB] Safe when used as a flavoring agent in food; [JECFA] Corrosive; Harmful by ingestion and skin absorption; May cause corrosive effects to upper respiratory tract if inhaled; [Aldrich MSDS]

The major hazards encountered in the use and handling of 1-amino-2-propanol stem from its toxicologic properties. Toxic primarily by inhalation and dermal contact, exposure to this liquid, with a slight ammonia odor, may occur from its production and use as a chemical intermediate, emulsifying agent, in drycleaning soaps, wax removers, metal cutting oils, cosmetics, plasticizers,and insecticides. In activities and situations where over-exposure may occur, wear a self-contained breathing apparatus. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. 1-Amino-2-propanol must be moderately heated before ignition will occur. Fires involving this substance may be extinguished with water spray or alcohol foam.

Reactive GroupAlcohols and Polyols
EC ClassificationSymbol: C; R: 34; S: (1/2)-23-26-36-45
UN ClassificationUN Hazard Class: 8; UN Pack Group: II
Reactivity Profile · 1 Eintrag

MONOISOPROPANOLAMINE is an aminoalcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Chemical DangersOn combustion, forms nitrogen oxides. Reacts violently with strong oxidants, cellulose nitrate, nitric acid and aldehydes.
Packaging and LabellingDo not transport with food and feedstuffs.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Use water spray, powder, alcohol-resistant foam, carbon dioxide.

First Aid Measures · 4 Einträge

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 .

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.

First Aid · 1 Eintrag

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 food and feedstuffs. See Chemical Dangers. Well closed. Keep in a well-ventilated room. Store in an area without drain or sewer access.
Fire Fighting ProceduresALCOHOL FOAM
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Spillage Disposal · 1 Eintrag

Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames. Above 77 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given whether a harmful concentration in the air will be reached.
Skin PreventionProtective gloves. Protective clothing.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: The dominant degradation process for 1-amino-2-propanol in soil is expected to be biodegradation. Several biodegradation studies have demonstrated that 1-amino-2-propanol is biodegradable(1,2,3). Based upon an estimated Koc of 7.1, 1-amino-2-propanol is expected to leach readily in soil(4,SRC). The importance of leaching may be lessened by concurrent biodegradation. Based upon a vapor pressure of 0.47 mm Hg at 25 °C(5), 1-amino-2-propanol should evaporate slowly from dry surfaces(SRC).

AQUATIC FATE: The dominant removal process for 1-amino-2-propanol in water is expected to be biodegradation. Several biodegradation studies have demonstrated that 1-amino-2-propanol is readily biodegradable(1,2,3). Aquatic volatilization, bioconcentration, and adsorption to sediment are not expected to be important(SRC).

ATMOSPHERIC FATE: Based upon a vapor pressure of 0.47 mm Hg at 25 °C(1), 1-amino-2-propanol is expected to exist almost entirely in the vapor-phase in the ambient atmosphere(2,SRC). It is expected to degrade relatively rapidly in an average ambient atmosphere (estimated half-life of about 9.9 hr) by reaction with photochemically produced hydroxyl radicals (3,SRC). Since 1-amino-2-propanol is miscible in water(4), physical removal via wet deposition is likely to occur(SRC).

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesSerious local effects by all routes of exposure.
Toxicity Summary · 2 Einträge

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 Einträge

Sore throat. Cough. Burning sensation. Shortness of breath. Laboured breathing.

Pain. Redness. Blisters. Skin burns.

Pain. Redness. Severe burns. Loss of vision.

Burning sensation. Burns in mouth and throat. Abdominal cramps. Shock or collapse.

ICSC Environmental DataThe substance is harmful to aquatic organisms.
Soil Adsorption/MobilityBased upon an experimental log Kow of -0.96(1), the Koc for 1-amino-2-propanol can be estimated to be 7.1 from a regression-derived equation(2,SRC). This BCF value suggests that 1-amino-2-propanol has very high soil mobility(3).
Artificial Pollution Sources · 1 Eintrag

Since 1-amino-2-propanol is primarily used as a chemical intermediate in the production of derivatives for many industries(1), it may be released to the environment in waste streams generated at sites of its commercial production and use(SRC).

Environmental Biodegradation · 1 Eintrag

A 5-day theoretical BOD of 4% was observed for 1-amino-2-propanol using a non-acclimated sewage inocula and a standard BOD dilution method(1); adaptation of the sewage inocula resulted in a 5-day theoretical BOD of 43%(1). Using a sewage inocula and a BOD dilution method, 5-day, 10-day, 15-day and 20-day theoretical BODs of 5.1, 34.0, 43.4 and 46.0% were measured respectively for 1-amino-2-propanol(2). In anaerobic serum bottle degradation studies, 1-amino-2-propanol exhibited a lag period of 9 days followed by a removal rate of 22 mg/l/day(3); during the observation period, 65% of initial 1-amino-2-propanol was removed compared to 100% removal for 1-propanol(3). 1-Amino-2-propanol is considered to be amenable to anaerobic biotechnology for industrial wastewater treatment(4).

Environmental Bioconcentration · 1 Eintrag

Based upon an experimental log Kow of - 0.96(1), the BCF for 1-amino-2-propanol can be estimated to be 0.11 from a regression-derived equation(2,SRC). This BCF value suggests that 1-amino-2-propanol will not bioconcentrate significantly in aquatic organisms(SRC).

Volatilization from Water/Soil · 1 Eintrag

The Henry's Law constant for 1-amino-2-propanol can be estimated to be 2.34X10-10 atm-cu m/mole using a structure estimation method(1,SRC); this value of Henry's Law constant indicates that a compound is essentially non-volatile from water(2). Based upon a vapor pressure of 0.47 mm Hg at 25 °C(3), 1-amino-2-propanol should evaporate from dry surfaces(SRC).

Non-Human Toxicity Excerpts · 1 Eintrag

ISOPROPANOL AMINE RATED 7-9 ON RABBIT EYES. ... TESTED EXTERNALLY ON EYES OF RABBITS & ... RATED NUMERICALLY ON SCALE OF 1-10 ACCORDING TO DEGREE OF INJURY ... AFTER 24 HR /OBSERVATION/, PAYING PARTICULAR ATTENTION TO CONDITION OF CORNEA. MOST SEVERE INJURIES HAVE BEEN RATED 10.

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2735 8/PG 2
hs_code
29221980
RTECS-Nr.
UA5775000
risk_code
34-21/22
Toxizität
LD50 orl-rat: 1715 mg/kg GTPZAB 30(7),46,86
hazard_code
C,Xn
safety_code
23-26-36-45-36/37
hazard_class
8
packing_group
II
Speicherklasse
8A - Combustible corrosive hazardous materials
Giftige Stoffe Daten
78-96-6(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1B
Selbstentzündungstemperatur
335°C

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

4-[(2,3-Dichlor-4-oxocyclohexa-2,5-dien-1-yl)imino]phenylacetat1,2-Epoxypropan

Nachgelagerte Produkte

Metal cleanerCadralazineTris(1-methylen)-phosphorsäure-triamid1-Dimethylaminopropan-2-ol3-Bromo-6-methyl-2-oxo-1(2H)-pyrazineacetic acid ethyl esterethyl 2-(3,4-dihydro-6-methyl-2,3-dioxopyrazin-1(2H)-yl)acetate1,1'-Iminodipropan-2-ol

Ergänzende Hinweise

DefinitionChEBI: Any amino alcohol that is propan-2-ol substituted by an amino group at position 1.