Basic information
- CAS
111-75-1- Standard SMILES
CCCCNCCO- InChIKey
LJDSTRZHPWMDPG-UHFFFAOYSA-N- Molecular formula
- C6H15NO
- Average molar mass
- 117.19 g/mol
- Monoisotopic mass
- 117.1153641
Overview
structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Butylethanolamine
- IUPAC
- 2-(butylamino)ethanol
- English name
- 2-(Butylamino)ethanol
- Molecular formula
- C6H15NO
- Molecular weight
- 117.19
Names & synonyms
111-75-12-ButylaminoethanolN-ButylethanolamineEthanol, 2-(butylamino)-ButylethanolamineButylmonoethanolamine2-(N-Butylamino)ethanol2-(N-Monobutylamino)ethanol3IBO99KPV6SYNERGEXNSC-1098DTXSID9059410
Show more names
BMEAceshiceshisbutylethanalamineButhylethanolamine2-butylamino-ethano
RefChem:461526DTXCID5033206203-904-52-(Butylamino)ethanoln-ButylaminoethanolN-Butyl monoethanolamine2-(butylamino)ethan-1-olN-n-Butylethanolamine
Database identifiers
- CAS
111-75-1- PubChem CID
- 8132
- DTXSID
DTXSID9059410- UNII
- 3IBO99KPV6
- EC Number
- 203-904-5
- Nikkaji
- J78.142H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 39.5
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Ethanolamines
SpringerMaterials PropertiesOptical coefficient
Physical Description
Liquid
Clear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 28.94 °C · 28.94°C (estimate)
- Boiling point
- 198 · 198-200 °C(lit.)
- Density
- 0.891 g/mL · 0.891 g/mL at 25 °C(lit.)
- vapor pressure
- 13.94 Pa · 13.94Pa at 20℃
- refractive index
- 20 · n20/D 1.444(lit.)
- Flash point
- 170 °F · 170 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 1000 g/l · 1000g/l
- form
- clear liquid
- pka
- 14.81 · 14.81±0.10(Predicted)
- Specific Gravity
- 0.893 · 0.893
- color
- Colorless to Almost colorless
- PH
- 11.9 · 11.9 (100g/l, H2O, 20℃)
- explosive limit
- 1.5 · 1.5-8.6%(V)
- biological source
- goat
- Water Solubility
- 1000 g/L · 1000g/L at 20℃
- BRN
- 1732522 · 1732522
- Cosmetics Ingredients Functions
- BUFFERING
- InChI
- 1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
- InChIKey
- LJDSTRZHPWMDPG-UHFFFAOYSA-N
- SMILES
- CCCCNCCO
- LogP
- 0.64 at · 0.64 at 25℃
- CAS DataBase Reference
- 111 · 111-75-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 3 IBO99KPV6 · 3IBO99KPV6
- EPA Substance Registry System
- 2 · Ethanol, 2-(butylamino)- (111-75-1)
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 46 · NA.46
- 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+P310
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2735 · UN 2735 8/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 175000 · KK0175000
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29221990 · 29221990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- 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
Danger
H302 (85.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 859 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, 2-(butylamino)-
Ethanol, 2-(butylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(butylamino)- 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: 04-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5529
2-Butylamino-ethanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; [Sigma-Aldrich MSDS] See Ethanolamine.
Hazard Classes and CategoriesAcute Tox. 4 (85.3%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- KK0175000
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29221990
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- 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
- Precautionary statements
- P280-P301+P312+P330-P303+P361+P353-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2-(butylamino)-: ACTIVE
Applications
Description2-(butylamino)ethanol (BAE) is a secondary amine and has steric hindrance with a strong tendency to form bicarbonate on reaction with CO2. As a result, equilibrium CO2 loading can exceed 0.5 mol CO2/mol amine, resulting in higher cyclic capacity than conventional MEA. BAE's hydrophobicity is very high and highly soluble with most amines and ethers. The advantages of preferring BAE over traditional 2-amino-2-methyl-1-propanol (AMP) are that BAE does not produce solid precipitation on CO2 loading, CO2 absorption and reaction rate of BAE is higher than AMP, it can be regenerated at low temperature, low heat of CO2 absorption and BAE is cheaper than AMP[1].
Uses2-(Butylamino)ethanol (N-Butylethanolamine) may be employed for the synthesis of 4-alkylamino-2,5,6-trimethyl -7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidines and N-butyl-N-(2-nitroxyethyl)nitramine (BuNENA).
General Description2-(Butylamino)ethanol is a secondary amine having a -OH group.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
8 records
Compound notes
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