Basic information
- CAS
5921-80-2- Standard SMILES
CCCCOC(CCC)OCCCC- InChIKey
WQRBJFZKPWPIJD-UHFFFAOYSA-N- Molecular formula
- C12H26O2
- Average molar mass
- 202.33 g/mol
- Monoisotopic mass
- 202.19328007
Names & identifiers
- Preferred name
- 1,1-Dibutoxybutane
- IUPAC
- 1,1-dibutoxybutane
- English name
- Butane, 1,1-dibutoxy-
- Molecular formula
- C12H26O2
- Molecular weight
- 202.33
Names & synonyms
1,1-DIBUTOXYBUTANE5921-80-2butyraldehyde dibutyl acetalDTXSID60207957RefChem:409765DTXCID10130448805-774-0Butane, 1,1-dibutoxy-LageracetalMFCD00561028Butyraldehyde, dibutyl acetalButyraldehydeDibutylAcetal
Show more names
butyl acetalButyraldehydeDibutylAcetal>butylaldehydedibutylethylaldehyde
Butyraldehyde Dibutyl AcetaBUTANAL DIBUTYL ACETALButyl aldehyde dibutyl acetalSCHEMBL351162SCHEMBL17385559SCHEMBL27579471SCHEMBL27996788n-butyraldehyde di-n-butyl acetal
Database identifiers
- CAS
5921-80-2- PubChem CID
- 22210
- DTXSID
DTXSID60207957- EC Number
- 805-774-0
- Nikkaji
- J24.145H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 94.5
Physicochemical properties
- Boiling point
- 214 °C · 214°C(lit.)
- Density
- 0.8669 g/cm3 · 0.8669 g/cm3(Temp: 25 °C)
- refractive index
- 1.414 · 1.4140-1.4180
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- RIDADR
- 1993 · 1993
- HS Code
- 2911 · 2911.00.5000
- HazardClass
- 3 · 3
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 2911.00.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers64 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河南萨克斯生物科技有限公司13803717460 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
长春三邦医药科技有限公司0431-81884431 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd
Related reactions
6 records
Compound notes
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