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Amino-2-propanol, also known as 1-amino-2-propanol or 1-aminopropan-2-ol, is an organic compound with the chemical formula C3H9NO. It is a colorless liquid with a slight ammonia-like odor and a fishy smell when concentrated. Amino-2-propanol is less dense than water and soluble in water. It has a flash point of 165°F and is corrosive to metals and tissue. The vapors of this compound are heavier than air and produce toxic oxides of nitrogen during combustion.

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  • 78-96-6 Structure
  • Basic information

    1. Product Name: Amino-2-propanol
    2. Synonyms: MONOISOPROPANOLAMINE;MIPA;THREAMINE;RARECHEM AL BW 2385;(+/-)-ISOPROPANOLAMINE;ISOPROPANOLAMINE;DL-ISOPROPANOLAMINE;DL-1-AMINO-2-PROPANOL
    3. CAS NO:78-96-6
    4. Molecular Formula: C3H9NO
    5. Molecular Weight: 75.11
    6. EINECS: 201-162-7
    7. Product Categories: N/A
    8. Mol File: 78-96-6.mol
  • Chemical Properties

    1. Melting Point: −2 °C(lit.)
    2. Boiling Point: 160 °C(lit.)
    3. Flash Point: 165 °F
    4. Appearance: Clear/Liquid
    5. Density: 0.973 g/mL at 25 °C(lit.)
    6. Vapor Density: 2.6 (vs air)
    7. Vapor Pressure: <1 mm Hg ( 20 °C)
    8. Refractive Index: n20/D 1.4478(lit.)
    9. Storage Temp.: 2-8°C
    10. Solubility: N/A
    11. PKA: 12.92±0.35(Predicted)
    12. Explosive Limit: 1.9-10.4%(V)
    13. Water Solubility: freely soluble
    14. Sensitive: Hygroscopic
    15. Stability: Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic.
    16. BRN: 605275
    17. CAS DataBase Reference: Amino-2-propanol(CAS DataBase Reference)
    18. NIST Chemistry Reference: Amino-2-propanol(78-96-6)
    19. EPA Substance Registry System: Amino-2-propanol(78-96-6)
  • Safety Data

    1. Hazard Codes: C,Xn
    2. Statements: 34-21/22
    3. Safety Statements: 23-26-36-45-36/37
    4. RIDADR: UN 2735 8/PG 2
    5. WGK Germany: 1
    6. RTECS: UA5775000
    7. TSCA: Yes
    8. HazardClass: 8
    9. PackingGroup: II
    10. Hazardous Substances Data: 78-96-6(Hazardous Substances Data)

78-96-6 Usage

Uses

Used in Machine Lubricating/Cutting Oil Formulations:
Amino-2-propanol is used as an additive in synthetic and semi-synthetic machine lubricating and cutting oil formulations. It is used along with isopropanolamine, diisopropanolamine, and triethanolamine, as well as nitrites. The Environmental Protection Agency (EPA) has established standards regarding the composition of cutting fluids, which include the use of Amino-2-propanol.
Used in Pharmaceutical Research:
Amino-2-propanol is utilized in the study of the effect of temperature and water content on its molecular structure and hydrogen bonding. This research has been conducted using Fourier transform near-infrared (FT-NIR) spectroscopy. Additionally, Amino-2-propanol is used in the synthesis of protein kinase CK2 inhibitors, which are employed in the treatment of neoplasia and other infective diseases.
Used in Chemical Synthesis:
Amino-2-propanol serves as a reactant in the preparation of various compounds. It can be used to synthesize 5-methyl-2-oxazolidinone through an oxidative carbonylation reaction using a Pd(OAc)2/I2 catalyst. Furthermore, it can be employed in the production of bio-based polyurethanes by reacting with epoxidized soybean oil through ring-opening and amidation reactions. Amino-2-propanol can also function as a solvent and a template for synthesizing layered aluminophosphate containing a racemic mixture of isopropanolamine.
Used in the Production of Plastics, Paints, and Cleaning Compounds:
Amino-2-propanol is utilized in the manufacturing of plastics, paints, and specialized cleaning compounds. Its properties make it a suitable component for these industries, contributing to the development of various products.
Occurrence:
Amino-2-propanol has been reportedly found in sherry, indicating its presence in the food and beverage industry as well.

Preparation

By employing Salmonella, mutatant cobD, and aminopropanol

Air & Water Reactions

Water soluble.

Reactivity Profile

Amino-2-propanol 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.

Health Hazard

Vapor irritates eyes and nose. Liquid causes local injury to mouth, throat, digestive tract, skin, and eyes.

Safety Profile

Poison by intraperitoneal route.Moderately toxic by ingestion and skin contact. A skin andsevere eye irritant. Moderately flammable in presence ofheat, flame, sparks, powerful oxidizers. Ignites on contactwith cellulose nitrate of high surface area. C

Check Digit Verification of cas no

The CAS Registry Mumber 78-96-6 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 7 and 8 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 78-96:
(4*7)+(3*8)+(2*9)+(1*6)=76
76 % 10 = 6
So 78-96-6 is a valid CAS Registry Number.
InChI:InChI:1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3

78-96-6 Well-known Company Product Price

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  • (Code)Product description
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  • Packaging
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  • Detail
  • Alfa Aesar

  • (L15343)  (±)-1-Amino-2-propanol, 94%, remainder 2-amino-1-propanol   

  • 78-96-6

  • 250g

  • 227.0CNY

  • Detail
  • Alfa Aesar

  • (L15343)  (±)-1-Amino-2-propanol, 94%, remainder 2-amino-1-propanol   

  • 78-96-6

  • 1000g

  • 342.0CNY

  • Detail
  • Alfa Aesar

  • (L15343)  (±)-1-Amino-2-propanol, 94%, remainder 2-amino-1-propanol   

  • 78-96-6

  • 2500g

  • 400.0CNY

  • Detail
  • Sigma-Aldrich

  • (95343)  (±)-1-Amino-2-propanol  analytical standard

  • 78-96-6

  • 95343-500MG

  • 521.82CNY

  • Detail
  • Aldrich

  • (110248)  Amino-2-propanol  93%

  • 78-96-6

  • 110248-100ML

  • 430.56CNY

  • Detail
  • Aldrich

  • (110248)  Amino-2-propanol  93%

  • 78-96-6

  • 110248-1L

  • 587.34CNY

  • Detail

78-96-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-aminopropan-2-ol

1.2 Other means of identification

Product number -
Other names 2-Propanol,1-amino-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Flavouring Agent: FLAVOURING_AGENT
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:78-96-6 SDS

78-96-6Relevant articles and documents

ZEOLITE CATALYZED PROCESS FOR THE AMINATION OF PROPYLENE OXIDE

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Page/Page column 20-21, (2021/05/29)

The present invention relates to a process for the conversion of propylene oxide to 1-amino-2- propanol and/or di(2-hydroxypropyl)amine comprising (i) providing a catalyst comprising a zeolitic material comprising YO2 and optionally comprising X2O3 in its framework structure, wherein Y is a tetravalent element and X is a trivalent element, wherein the zeolitic material has a framework-type structure selected from the group consisting of MFI and/or MEL, including MEL/MFI intergrowths; (ii) providing a mixture in the liquid phase comprising propylene oxide and ammonia; (iii) contacting the catalyst provided in (i) with the mixture in the liquid phase provided in (ii) for converting propylene oxide to 1-amino-2-propanol and/or di(2-hydroxypropyl)amine.

Method for preparing monoisopropanolamine

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Paragraph 0065; 0074; 0076-0077; 0084; 0088-0089, (2021/01/04)

The invention discloses a method for preparing monoisopropanolamine. The method comprises the steps of (a) reacting 1,2-propylene glycol under the action of a dehydrogenation catalyst to obtain 2-hydroxy propionaldehyde; and (b) reacting the 2-hydroxy propionaldehyde obtained in the step (1) with liquid ammonia and hydrogen under the action of a hydrogenation catalyst to prepare monoisopropanolamine. The dehydrogenation catalyst is prepared from a modified gamma-Al2O3 carrier and active components of CuO, PdO, Bi2O3 and In2O3. The hydrogenation catalyst comprises a modified gamma-Al2O3 carrierand active components NiO, V2O5 and Y2O3. Different catalysts and two-step reaction processes are adopted, and the reaction processes of dehydrogenation, imidization and hydrogenation of 1,2-propanediol are controlled to inhibit the generation of by-products such as hydroxyacetone in the dehydrogenation process and by-products such as secondary amine in the amination process, thereby greatly enhancing the yield and selectivity of the monoisopropyl alcohol product.

Selective amination of 1,2-propanediol over Co/La3O4 catalyst prepared by liquid-phase reduction

Yue, Chuan-Jun,Di, Kai,Gu, Li-Ping,Zhang, Zhen-Wei,Ding, Lin-Lin

, (2019/08/20)

The catalytic coupling of alcohol and ammonia is an environmentally friendly process. Cobalt-based catalysts, modified by supports (including CeO2, Fe3O4, Nb2O5, La3O4 and Al2O3), and prepared by the liquid-phase reduction, were used for the amination of 1,2-propanediol. The screened nano-Co/La3O4 catalyst exhibited an excellent catalytic performance of 68% conversion and 89% selectivity toward 2-amino-1-propanol under optimal conditions. The characterizations of the catalyst was performed by XRD, XPS, BET, TEM, TG, and CO2-TPD, revealing a relatively large specific surface area, strongly alkaline sites and a Co-La-O transition phase, which were responsible for the selective catalysis of 1,2-propanediol. The efficient construction of cobalt-based catalysts on the basis of the active species is key to improving the efficiency of the reaction process.

Improving the efficiency of Fenton reactions and their application in the degradation of benzimidazole in wastewater

Liu, Qinyao,Qian, Kun,Qi, Jinxu,Li, Chenru,Yao, Chen,Song, Wei,Wang, Yihong

, p. 9741 - 9748 (2018/03/23)

Reducing the quantity of sludge produced in Fenton reactions can be partly achieved by improving their efficiency. This paper firstly studies the effect of uniform deceleration feeding (ferrous iron and hydrogen peroxide) on the efficiency of a Fenton reaction by measuring the yield of hydroxyl radicals (OH) and chemical oxygen demand (COD) removal rate. The dynamic behavior of OH was also investigated. The results indicated that uniform deceleration feeding was the best feeding method compared with one-time feeding and uniform feeding methods when the same amount of Fenton reagents and the same reaction times were used. Besides, it was found the COD removal rate reached 79.3% when this method was applied to degrade 2-(a-hydroxyethyl)benzimidazole (HEBZ); this COD removal rate is larger than those when the other two modes were used (they reached 60.7% and 72.1%, respectively). The degradation pathway of HEBZ was determined using PL, UV-vis, FTIR, HPLC and GC-MS. Ultimately, HEBZ was decomposed into three small molecules (2-hydroxypropylamine, oxalic acid, and 2-hydroxypropamide). This research is of great significance for the application of Fenton reactions in wastewater treatment.

Lewis acid mediated intramolecular C-O bond formation of alkanol-epoxide leading to substituted morpholine and 1,4-oxazepane derivatives: Total synthesis of (±)-Viloxazine

Ghosh, Priya,Deka, Manash J.,Saikia, Anil K.

, p. 690 - 698 (2016/01/15)

Substituted morpholines have been efficiently synthesised in good yields from nitrogen tethered alkanol-epoxide mediated by boron trifluoride etherate. The methodology has been used for the total synthesis of (±)-viloxazine.

Converting urea into high value-added 2-oxazolidinones under solvent-free conditions

Wang, Peixue,Li, Qinghe,Liu, Shimin,Deng, Youquan

, p. 94382 - 94386 (2016/10/21)

Zn-modified mesoporous Mg-Al nanoplates oxides were prepared by co-precipitation and further characterized and used in the synthesis of 2-oxazolidinones from urea and epoxides under solvent-free conditions. The characterization results suggested that Zn1.1Mg2.0AlO4.6, which featured more accessible active medium basic sites, were favorable for obtaining superior catalytic activity. This synthetic process is mild, convenient, simple and gives good yields up to 80%.

HIV INTEGRASE INHIBITORS

-

, (2015/09/22)

The present invention features compounds that are HIV integrase inhibitors and therefore are useful in the inhibition of HIV replication, the prevention and/or treatment of infection by HIV, and in the treatment of AIDS and/or ARC.

Design and synthesis of a new series of modified CH-diarylpyrimidines as drug-resistant HIV non-nucleoside reverse transcriptase inhibitors

Meng, Ge,Liu, Yang,Zheng, Aqun,Chen, Fener,Chen, Wenxue,De Clercq, Erik,Pannecouque, Christophe,Balzarini, Jan

, p. 600 - 611 (2014/07/08)

This article reports the design, synthesis and antiviral evaluation of a new series of non-nucleoside reverse transcriptase inhibitors (NNRTIs). The basic skeleton of these target 18 molecules is diarylpyrimidine featuring a substituted amino group between the pyrimidine scaffold and the aryl wing. All of the new compounds have been characterized by spectra analysis. The entire target molecules were evaluated for their in vitro anti-HIV activity with controlling group of FDA approved drugs. Most of them showed good to potent activities against wild-type (WT) HIV-1 with IC50 values in the range of 0.0175-69.21 μM. 2-(4-Cyanophenylamino)-4-(2- cyanovinylphenylhydrazonomethyl)pyrimidine (1d) displayed potent anti-HIV-1 activity against WT HIV-1 with a selectivity index (SI) of 106367 and an IC 50 value of 1.75 nM, which was 47 fold lower than that of AZT. Compound 1d also showed a broad-spectrum inhibitory activity, with an IC 50 value of 5.33 μM and 5.05 μM against both HIV-1 double-mutated (K103N/Y181C) strain and HIV-2 strain, respectively. The preliminary structure-activity relationship (SAR) was also investigated. The binding modes with HIV-1 RT for both the wild type and mutant type have also been discussed.

Structure of catalytically active Rh-In bimetallic phase for amination of alcohols

Takanashi, Tsukasa,Tamura, Masazumi,Nakagawa, Yoshinao,Tomishige, Keiichi

, p. 28664 - 28672 (2014/07/22)

The structure of Rh-In bimetallic catalysts supported on carbon for amination of alcohols was determined by XRD, TEM-EDX, XPS, CO adsorption and EXAFS. At low In/Rh ratio (In/Rh ≤ 0.2), Rh metal particles with sizes of a tetragonal RhIn alloy with a particle size of ~20 nm was formed. This tetragonal alloy has a structure with a = 0.315 nm and c = 0.328 nm where metal atoms are located at (0, 0, 0) and (0.5, 0.5, 0.5). The catalytic activity of the tetragonal RhIn alloy is much higher than that of Rh metal particles with or without indium oxide species. With an excess amount of In (In/Rh > 1) on the high Rh loading (20 wt%) catalyst, the cubic RhIn phase with a CsCl structure was observed instead of the tetragonal RhIn phase, and the catalytic activity was much decreased.

Amination of alcohols with ammonia in water over Rhin catalyst

Takanashi, Tsukasa,Nakagawa, Yoshinao,Tomishige, Keiichi

, p. 822 - 824 (2014/06/23)

Amination of various C3 alcohols such as 1,2-propanediol with ammonia was catalyzed by RhIn/C in water while Rh/C was totally inactive. Activated carbon FAC-10 was the best support in terms of activity and resistance to metal leaching. In the amination of 1,2-propanediol, RhIn/C produced amino alcohols in 68% total selectivity and 38% conversion. XRD and TEM measurements showed that RhIn alloy particle with size of 34 nm was formed on the carbon support.

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