Basic information
- CAS
10534-59-5- Standard SMILES
CC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC- InChIKey
MCZDHTKJGDCTAE-UHFFFAOYSA-M- Molecular formula
- C18H39NO2
- Average molar mass
- 301.5 g/mol
- Monoisotopic mass
- 301.29807949
Names & identifiers
- Preferred name
- Tetrabutylammonium Acetate
- IUPAC
- tetrabutylazanium acetate
- English name
- Tetrabutylammonium acetate
- Molecular formula
- C18H39NO2
- Molecular weight
- 301.51
Names & synonyms
Tetrabutylammonium acetate10534-59-5EINECS 234-101-8DTXSID80651111-Butanaminium, N,N,N-tributyl-, acetate (1:1)RefChem:188404Tetranbutylammonium acetateDTXCID50329491Butanaminium, N,N,Ntributyl, acetate234-101-81-Butanaminium, N,N,N-tributyl-, acetatetetrabutylazanium;acetate
Show more names
etrabutylammonium acetate[B4N]AcTETRABUTYLAMMONTETRABUTYLAMINE ACETATETetrabutylaminium·acetatetetrabutylammomium acetateTetrabutylaMMoniuM acetate 97%Tetra Butyl Ammonium Acetate 1
Tetra-n-butylammonium acetatetetrabutylazanium acetateC18H39NO2MFCD00043208Tetrabutyl ammonium acetatetetrabutylammoniumacetateGSZ9YRQ9UYtetrabutylammonium;acetate
Database identifiers
- CAS
10534-59-5- PubChem CID
- 82707
- DTXSID
DTXSID8065111- ChEMBL
CHEMBL1079205- UNII
- GSZ9YRQ9UY
- EC Number
- 234-101-8
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionWhite hygroscopic crystals; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 95 · 95-98 °C (lit.)
- Boiling point
- 100 °C · 100 °C
- Density
- 0.99 g/mL · 0.99 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.389
- Flash point
- 100 °C · 100°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 0.1 g/mL, · acetonitrile: 0.1 g/mL, clear, colorless to very faint brown
- form
- Crystalline
- color
- White
- Sensitive
- Hygroscopic
- BRN
- 3599376 · 3599376
- Stability
- Hygroscopic
- InChI
- 1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- InChIKey
- MCZDHTKJGDCTAE-UHFFFAOYSA-M
- SMILES
- CC([O-])=O.CCCC[N+](CCCC)(CCCC)CCCC
- CAS DataBase Reference
- 10534 · 10534-59-5(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1-Butanaminium, N,N,N-tributyl-, acetate (10534-59-5)
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 61 · NB.61
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
- TSCA
- TSCA listed
- HS Code
- 29239000 · 29239000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: No longer Valid Update: 08-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26618
1-Butanaminium, N,N,N-tributyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, respiratory tract, and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Inactive
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanaminium, N,N,N-tributyl-, acetate (1:1): ACTIVE
Applications
UsesTetrabutylammonium Acetate acts as a catalyst in organic syntheses of anion sensors.
General DescriptionTetrabutylammonium acetate (TBAA) is a phase transfer catalyst (PTC).
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海将来实业股份有限公司021-61552785 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
济南鲁欣化工科技有限公司0531-0531-82929600 18615510361 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
深圳利斯康医药科技有限公司0755-89396905 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
Related reactions
300 records
Compound notes
Loading…