Basic information
- Standard SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[OH-]- InChIKey
VDZOOKBUILJEDG-UHFFFAOYSA-M- Molecular formula
- C16H37NO
- Average molar mass
- 259.47 g/mol
- Monoisotopic mass
- 259.2875148
Names & identifiers
- Preferred name
- Tetrabutylammonium Hydroxide
- IUPAC
- tetrabutylazanium hydroxide
- English name
- Tetrabutylammonium hydroxide
- Molecular formula
- C16H37NO
- Molecular weight
- 259.47
Names & synonyms
Show more names
Database identifiers
- CAS
2052-49-5、65201-77-6- PubChem CID
- 2723671
- DTXSID
DTXSID8062155- ChEMBL
CHEMBL1078154- UNII
- 68I858J9S1
- EC Number
- 218-147-6
Properties
Computed structural properties
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Physical Description
Liquid
55% Aqueous solution: Colorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 27 · 27-30 °C(lit.)
- Boiling point
- 100 °C · 100 °C
- Density
- 0.995 · 0.995
- vapor density
- 1 · 1 (vs air)
- vapor pressure
- 2.3 kPa · 2.3 kPa (@ 20°C)
- refractive index
- 1.4 · 1.4
- Flash point
- 7 °C · 7°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Miscible with organic solvents.
- form
- Solution
- Specific Gravity
- 0.8586 · 0.8586
- color
- 30 · APHA: ≤30
- Odor
- Odorless
- PH Range
- 14 · 14
- PH
- 14 · 14 (20°C in H2O)
- explosive limit
- 5.5 · 5.5-36.5% (v/v) Methanol)
- Water Solubility
- Soluble in water, methanol.
- Sensitive
- Air Sensitive/Hygroscopic
- BRN
- 3571228 · 3571228
- Stability
- Volatile
- InChI
- 1S/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1
- InChIKey
- VDZOOKBUILJEDG-UHFFFAOYSA-M
- SMILES
- [OH-].CCCC[N+](CCCC)(CCCC)CCCC
- LogP
- 1.517 at · 1.517 at 25℃
- CAS DataBase Reference
- 2052 · 2052-49-5(CAS DataBase Reference)
- FDA UNII
- 68 I858J9S1 · 68I858J9S1
- EPA Substance Registry System
- 1 · 1-Butanaminium, N,N,N-tributyl-, hydroxide (2052-49-5)
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 21 · NB.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H317
- Precautionary statements
- 501 · P501-P272-P261-P264-P280-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,T,F,Xn
- Risk Statements
- 34 · 34-36/38-23/24/25-11-67-39/23/24/25-36-65-63-38-48/20-35-20/21/22-10-68/20/21/22
- Safety Statements
- 7 · 7-16-26-36/37/39-45-36/37-62-27
- RIDADR
- 3267 · UN 3267 8/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 5425000 · BS5425000
- F
- 9 · 9-34
- Hazard Note
- Highly Flammable/Toxic/Corrosive/Air Sensitive/Hygroscopic
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29239000 · 29239000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1
- 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 11.5% (43 of 373) of reports.
Danger
H226 (51.7%): Flammable liquid and vapor [Warning Flammable liquids];H302 (52%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (88.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (52.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 373 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 43 of 373 reports by companies.;There are 13 notifications provided by 330 of 373 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 1-Butanaminium, N,N,N-tributyl-, hydroxide
1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1) 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: 13-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19067
1-Butanaminium, N,N,N-tributyl-, hydroxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (51.7%);Acute Tox. 4 (52%);Skin Corr. 1B (88.2%);Eye Dam. 1 (52.8%)
Acute toxicity (ingestion) - category 4;Acute toxicity (dermal) - category 4;Skin corrosion - category 1
Safety & protection
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
Toxicology
Regulatory information
Regulatory Information
Chemical: 1-Butanaminium, N,N,N-tributyl-, hydroxide
1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1) 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: 13-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19067
1-Butanaminium, N,N,N-tributyl-, hydroxide: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 9-34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- BS5425000
- ridadr
- UN 3267 8/PG 2
- hs_code
- 29239000
- risk_code
- 34-36/38-23/24/25-11-67-39/23/24/25-36-65-63-38-48/20-35-20/21/22-10-68/20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,T,F,Xn
- hazard_note
- Highly Flammable/Toxic/Corrosive/Air Sensitive/Hygroscopic
- safety_code
- 7-16-26-36/37/39-45-36/37-62-27
- hazard_class
- 3
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314-H317
- 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
- Eye Dam. 1Skin Corr. 1
- Precautionary statements
- P501-P272-P261-P264-P280-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Uses & manufacturing
General Manufacturing Information
Computer and Electronic Product Manufacturing;Synthetic Rubber Manufacturing;Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing;Pharmaceutical and Medicine Manufacturing;All Other Basic Organic Chemical Manufacturing;Miscellaneous Manufacturing;All Other Chemical Product and Preparation Manufacturing;Photographic Film, Paper, Plate, and Chemical Manufacturing;Not Known or Reasonably Ascertainable
1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1): ACTIVE
Applications
UsesTetrabutylammonium hydroxide(TBAOH) is a quaternary ammonium salt mainly used as a strong base and phase-transfer catalyst. TBAOH may be used as an ion-pairing reagent in mobile phase preparation for reverse phase ion-pair high performance liquid chromatography during chromium (III) and chromium (VI) determination.
General DescriptionThe product is 54.0-56.0% solution of tetrabutylammonium hydroxide in H2O. Tetrabutylammonium hydroxide has been synthesized from tetrabutylammonium iodide. TBAOH dissolved in anhydrous isopropyl alcohol is widely employed as titrant for weak acids.
Preparation methods
PreparationTetrabutylammonium hydroxide was prepared by the ion exchange between gel type strong basic anion exchange resin(OH-) and aqueous solution of tetrabutylammonium bromide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
Loading…