Basic information
- Standard SMILES
CCCCN(CCCC)C(=O)N(CCCC)CCCC- InChIKey
SNDGLCYYBKJSOT-UHFFFAOYSA-N- Molecular formula
- C17H36N2O
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.28276377
Names & identifiers
- Preferred name
- Tetrabutylurea
- IUPAC
- 1,1,3,3-tetrabutylurea
- English name
- Tetrabutylurea
- Molecular formula
- C17H36N2O
- Molecular weight
- 284.48
Names & synonyms
Tetrabutylurea1,1,3,3-Tetrabutylurea4559-86-8UREA, TETRABUTYL-Urea, 1,1,3,3-tetrabutyl-DTXSID7043902Urea, N,N,N',N'-tetrabutyl-NSC-3892736CY99V47DTXCID5023902RefChem:409619224-929-8
Show more names
tetrabutyl-ureTertabutylureaTETRA-N-BUTYLUREATetrabutylharnstoff1,1,3,3-tetrabutyl-ureTetra Butyl Ureas ( TBU )
N,N,N',N'-TetrabutylureaTetrabutyl-ureaMFCD000429011,1,3,3-Tetrabutylurea; NSC 3892N,N,N',N'-Tetra-n-butylureaNSC 3892EINECS 224-929-8tetrabutyl urea
Database identifiers
- CAS
4559-86-8- PubChem CID
- 20691
- DTXSID
DTXSID7043902- ChEMBL
CHEMBL3184697- UNII
- 736CY99V47
- EC Number
- 224-929-8
- Nikkaji
- J143.384I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physical DescriptionLiquid; CBI
Collision Cross Section194.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7043902]
Physicochemical properties
- Melting point
- -60 °C · -60 °C
- Boiling point
- 163 °C · 163 °C / 12mmHg
- Density
- 0.88 · 0.88
- vapor pressure
- 0.019 Pa · 0.019Pa at 20℃
- refractive index
- 1.452 · 1.4520-1.4560
- Flash point
- 93 °C · 93 °C
- storage temp.
- Store at room temperature
- form
- clear liquid
- pka
- -0.61 · -0.61±0.70(Predicted)
- color
- Colorless to Light yellow to Light orange
- Viscosity
- 17.6 mm2/s · 17.6mm2/s
- Water Solubility
- 4.3 mg/L · 4.3mg/L at 20℃
- InChI
- InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
- InChIKey
- SNDGLCYYBKJSOT-UHFFFAOYSA-N
- SMILES
- N(CCCC)(CCCC)C(N(CCCC)CCCC)=O
- LogP
- 6.2 at · 6.2 at 25℃
- CAS DataBase Reference
- 4559 · 4559-86-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 736 CY99V47 · 736CY99V47
- NIST Chemistry Reference
- Urea, tetrabutyl-(4559-86-8)
- EPA Substance Registry System
- Urea, tetrabutyl- (4559-86-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501 · P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
- Safety Statements
- 22 · 22-24/25
- RTECS
- 2080000 · YU2080000
- TSCA
- TSCA listed
- HS Code
- 2924.19 · 2924.19.8000
- Toxicity
- 700 mg/m3/4H · rat,LCLo,inhalation,700mg/m3/4H (700mg/m3),Food and Chemical Toxicology. Vol. 25, Pg. 173, 1987.
- REACH Registrations
- Active
- Excepted Quantities
- Non-Hazardous
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (94.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 123 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Urea, N,N,N',N'-tetrabutyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N,N',N'-tetrabutyl- 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: 20-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12233
Urea, tetrabutyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Acute 1 (94.3%)
Safety data
- tsca
- TSCA listed
- rtecs
- YU2080000
- hs_code
- 2924.19.8000
- Toxicity
- rat,LCLo,inhalation,700mg/m3/4H (700mg/m3),Food and Chemical Toxicology. Vol. 25, Pg. 173, 1987.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H227
- Excepted Quantities
- Non-Hazardous
- REACH Registrations
- Active
- Precautionary statements
- P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <400,000 lb
Industry UsesSolvent
General Manufacturing Information
CBI
Urea, N,N,N',N'-tetrabutyl-: ACTIVE
Applications
UsesPlasticizer.
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北佩孜医药科技有限公司0712-4220300 17720472265 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
武汉吉业升化工有限公司027-13545242311 13545242311 · [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]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
泰安市江舟生物科技有限公司1385-13854830759 13854830759 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
苏州秋柏化学有限公司0512-62927368; 18136961057 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
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