Basic information
- CAS
156-87-6- Standard SMILES
NCCCO- InChIKey
WUGQZFFCHPXWKQ-UHFFFAOYSA-N- Molecular formula
- C3H9NO
- Average molar mass
- 75.11 g/mol
- Monoisotopic mass
- 75.06841391
Overview
N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.
Names & identifiers
- Preferred name
- 3-Amino-1-propanol
- IUPAC
- 3-aminopropan-1-ol
- English name
- 3-Aminopropanol
- Molecular formula
- C3H9NO
- Molecular weight
- 75.11
Names & synonyms
3-Aminopropan-1-ol3-Aminopropanol3-Amino-1-propanol156-87-61-Propanol, 3-amino-PROPANOLAMINE3-Aminopropyl alcohol3-Propanolamine3-Hydroxypropylamine1-Amino-3-propanol1,3-Propanolamine1-Amino-3-hydroxypropane
Show more names
monopropanolamine3-Hydroxy-1-aminopropane3-AIMNOPROPANOL
beta-Alaninolgamma-Aminopropanol3-Hydroxy-1-propylaminegamma-Hydroxy-1-propylamineYMA7C44XGYNSC-7766DTXSID0059746CHEBI:143408
Database identifiers
- CAS
156-87-6- PubChem CID
- 9086
- DTXSID
DTXSID0059746- ChEMBL
CHEMBL115530- ChEBI
CHEBI:143408- UNII
- YMA7C44XGY
- EC Number
- 205-864-4
- Nikkaji
- J2.560G
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 16.4
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density
0.982 at 68 °F (USCG, 1999) - Less dense than water; will float
0.9824 @ 26 °C/4 °C
0.985 @25 °C
Color/FormCOLORLESS LIQUID
Solubility
SOL IN WATER, ALCOHOL & ETHER
MISCIBLE WITH ACETONE & CHLOROFORM
Flash Point
175 °F (USCG, 1999)
175 °F
Boiling Point
369.5 °F at 760 mmHg (USCG, 1999)
187-188 °C @ 756 MM HG
187 °C @760 [mm Hg]
Melting Point
52 °F (USCG, 1999)
12.4 °C
-2 °C
Vapor Pressure
0.07 [mmHg]
0.4 [mm Hg] @25 °C
Refractive IndexINDEX OF REFRACTION: 1.4617 @ 20 °C
Physical Description
N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.
CBI; Liquid
Colorless to pale yellow liquid with a fishy odor; mp = 12.4 deg C; [CAMEO] Colorless liquid with an odor of amines; mp = 11 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 10 · 10-12 °C (lit.)
- Boiling point
- 184 · 184-187 °C (lit.)
- Density
- 0.982 g/mL · 0.982 g/mL at 20 °C (lit.)
- vapor density
- 2.59 · 2.59 (vs air)
- vapor pressure
- 2.1 mm · 2.1 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.4598(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- water: soluble
- form
- Liquid
- pka
- 1 · pK1: 9.96(+1) (25°C)
- Specific Gravity
- 0.99 · 0.990 (20/4℃)
- color
- Clear colorless to very slightly yellow
- PH
- 11.6 · 11.6 (10g/l, H2O, 20℃)
- explosive limit
- 2.5 · 2.5-10.6%(V)
- Water Solubility
- miscible
- Sensitive
- Hygroscopic
- BRN
- 741855 · 741855
- Stability
- Hygroscopic
- InChI
- 1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
- InChIKey
- WUGQZFFCHPXWKQ-UHFFFAOYSA-N
- SMILES
- NCCCO
- LogP
- -1.1 at · -1.1 at 20℃
- CAS DataBase Reference
- 156 · 156-87-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 C44XGY · YMA7C44XGY
- NIST Chemistry Reference
- 1 · 1-Propanol, 3-amino-(156-87-6)
- EPA Substance Registry System
- 3 · 3-Aminopropanol (156-87-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 280 · P280-P301+P312+P330-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,Xn
- Risk Statements
- 22 · 22-34-20/21/22
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2735 · UN 2735 8/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 5600000 · UA5600000
- Autoignition Temperature
- 770 °F · 770 °F
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29221980 · 29221980
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- Hazardous Substances Data
- 156 · 156-87-6(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in Rabbit: 1300 mg/kg LD50 dermal Rat > 2000 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 259) of reports.
Danger
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 259 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: 1-Propanol, 3-amino-
1-Propanol, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 3-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)
Status: Active Update: 17-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13762
3-Amino-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire.
Health HazardsIf inhaled may be harmful. Contact may cause burns to skin and eyes. (Organic base.) (USCG, 1999)
Hazards Summary
A severe eye and moderate to severe skin irritant; [RTECS] Moderately toxic by ingestion; [CAMEO] A moderate irritant; [HSDB] A fairly severe skin irritant that may cause second-degree burns following a few minutes contact; Causes irritation or burns to eyes; Vapors cause moderate irritation; [CHRIS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]
Reactive GroupAlcohols and Polyols
Reactivity Profile
N-PROPANOLAMINE neutralizes acids to form salts plus water in an exothermic reaction. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Reacts with strong reducing agents, such as hydrides to generate flammable gaseous hydrogen.
Air and Water ReactionsWater soluble.
Hazard Classes and Categories
Acute Tox. 4 (92.7%)
Flammable liquids - Category 4
Safety & protection
Fire FightingFire Extinguishing Agents: Small fires: Dry chemical, CO2, water spray or alcohol foam. Large fires: Water spray, fog or alcohol foam. (USCG, 1999)
First AidINHALATION: Move victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Nonfire Spill ResponseNeutralizing Agents for Acids and Caustics: Cover spilled material with sodium bisulfate. Flush with water. (USCG, 1999)
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Protective Action Criteria (PAC)
4.0 [mg/m3]
44 [mg/m3]
270 [mg/m3]
Personal Protective Equipment (PPE)Wear butyl rubber gloves and face shield or all-purpose canister respirator for spills. Wear self-contained breathing apparatus and full protective clothing for fires. (USCG, 1999)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity ExcerptsMODERATELY TOXIC BY INGESTION; MODERATE IRRITANT TO TISSUE.
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UA5600000
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29221980
- Toxicity
- LD50 orally in Rabbit: 1300 mg/kg LD50 dermal Rat > 2000 mg/kg
- risk_code
- 22-34-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H302-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- Autoignition Temperature
- 770 °F
- Precautionary statements
- P280-P301+P312+P330-P303+P361+P353-P305+P351+P338
- Hazardous Substances Data
- 156-87-6(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as a chemical intermediate; [HSDB]
CHEM INT FOR DEXPANTHENOL, A GASTROINTESTINAL DRUG
Organic intermediate
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
2023: 100,000 - <250,000 lb
(1977) No Data
(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Industry UsesOther
Formulations/PreparationsGRADE: 99% PURE.
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
1-Propanol, 3-amino-: ACTIVE
Applications
UsesOrganic intermediate.
Uses3-Amino-1-propanol is used in the production of anionic emulsifiers, nonionic polyethylene emulsions. Its salts such as hydrochloride, nitrate, sulfate, phosphate are used for the balanced curing action with selected textile resins. It is used as a starting material in the preparation of beta-lactam antibiotics, humectants for foods and cosmetics. It acts as a corrosion inhibitor and finds application in water treatment, metal treatment and absorption of carbon dioxide gas.
Uses3-Amino-1-propanol was used in the synthesis of di-tert-butyl aminopropanol derivative.
General DescriptionColorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4°C (54°F). Moderately toxic by ingestion.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Additional notes
DefinitionChEBI: 3-aminopropan-1-ol is a member of the class of propanolamines that is propane with a hydroxy substituent at C-1 and an amino substituent at C-2, making it both a primary amine and a primary alcohol. It is a primary alcohol, a primary amine and a propanolamine.
Related reactions
925 records
Compound notes
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