1-Amino-2-propanol (HCID 4)

Names & identifiers

Preferred name: 1-Amino-2-propanol
IUPAC: 1-aminopropan-2-ol
English name: Amino-2-propanol
Molecular formula: C3H9NO
Molecular weight: 75.11

Names & synonyms

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

Show more names

MIPA3-Amino-2-propanol1-AMINOISOPROPANOLDL-ISOPROPANOLAMINE

2-Hydroxy-1-propylaminealpha-Aminoisopropyl alcoholMono-iso-propanolamineCCRIS 22842-Hydroxy-1-propanamineHSDB 5224beta-AminoisopropanolNSC 3188

Database identifiers

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

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 22

Physicochemical properties

Melting point: -2 °C · -2 °C (lit.)
Boiling point: 160 °C · 160 °C (lit.)
Density: 0.973 g/mL · 0.973 g/mL at 25 °C (lit.)
vapor density: 2.6 · 2.6 (vs air)
vapor pressure: 1 mm · <1 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.4478(lit.)
FEMA: 3965 · 3965 | 1-AMINO-2-PROPANOL
Flash point: 165 °F · 165 °F
storage temp.: 2 · 2-8°C
solubility: 250 mg/mL · DMSO : 250 mg/mL (3328.45 mM; Need ultrasonic)
form: Liquid
pka: 12.92 · 12.92±0.35(Predicted)
color: Clear
PH: 11.3 · 11.3 (10g/l, H2O, 20℃)
Odor: slt ammonia odor
Odor Type: fishy
biological source: synthetic
explosive limit: 1.9 · 1.9-10.4%(V)
Water Solubility: freely soluble
FreezingPoint: 1.4 ℃ · 1.4℃
Sensitive: Hygroscopic
JECFA Number: 1591 · 1591
BRN: 605275 · 605275
Henry's Law Constant: 4.2 · 4.2×104 mol/(m3Pa) at 25℃, HSDB (2015)
Stability: Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic.
Major Application: cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care
Cosmetics Ingredients Functions: 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℃
Surface tension: 37.6 mN/m · 37.6mN/m at 293.15K
CAS DataBase Reference: 78 · 78-96-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): 1 · 1-AMINO-2-PROPANOL
FDA 21 CFR: 175.105 · 175.105; 176.170; 176.180;176.210
FDA UNII: 40 BY1BZW · UE40BY1BZW
NIST Chemistry Reference: 2 · 2-Propanol, 1-amino-(78-96-6)
EPA Substance Registry System: Monoisopropanolamine (78-96-6)
UNSPSC Code: 85151701 · 85151701
NACRES: 24 · NA.24
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 312 · H312-H314
Precautionary statements: 280 · P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P362+P364
Hazard Codes: C,Xn
Risk Statements: 34 · 34-21/22
Safety Statements: 23 · 23-26-36-45-36/37
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 1 · 1
RTECS: 5775000 · UA5775000
Autoignition Temperature: 335 °C · 335°C
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29221980 · 29221980
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 DermalEye · Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1B
Hazardous Substances Data: 78 · 78-96-6(Hazardous Substances Data)
Toxicity: 50 orl-rat: · LD50 orl-rat: 1715 mg/kg GTPZAB 30(7),46,86
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

Safety data

wgk: 1
tsca: TSCA listed
rtecs: UA5775000
ridadr: UN 2735 8/PG 2
hs_code: 29221980
Toxicity: LD50 orl-rat: 1715 mg/kg GTPZAB 30(7),46,86
risk_code: 34-21/22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xn
safety_code: 23-26-36-45-36/37
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H312-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 DermalEye Dam. 1Skin Corr. 1B
Autoignition Temperature: 335°C
Precautionary statements: P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P362+P364
Hazardous Substances Data: 78-96-6(Hazardous Substances Data)

Chemistry & industry

Applications · 5 items

OccurrenceReportedly present in sherry.

UsesSynthetic and semisynthetic machine lubricating/cutting oil formulations have included isopropanolamine, diisopropanolamine, and triethanolamine, together with nitrites; consequently the EPA has promulgated standards regarding the composition of cutting fluids. No additional uses were found in the literature.

UsesAmino-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.

UsesAmino-2-propanol can be used as a reactant to prepare: 5-methyl-2-oxazolidinone by oxidative carbonylation reaction using Pd(OAc)2/I2 catalyst. Bio-based polyurethanes by reacting with epoxidized soybean oil via ring-opening and amidation reaction. It can also be used as a solvent as well as a template to synthesize layered aluminophosphate containing a racemic mixture of isopropanolamine.

General DescriptionA 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.