Basic information
- CAS
116549-34-9- Standard SMILES
CCCC(CC)(OC)OC- InChIKey
KYKSUAPFGPQISC-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 3,3-Dimethoxyhexane
- IUPAC
- 3,3-dimethoxyhexane
- English name
- 3,3-Dimethoxyhexane
- Molecular formula
- C9H20O2
- Molecular weight
- 160.25
Names & synonyms
3,3-DimethoxyhexaneDTXSID80340936RefChem:90795DTXCID30292017678-104-6116549-34-9KYKSUAPFGPQISC-UHFFFAOYSA-N105644-27-7SCHEMBL733382Heptane, 3,3-dimethoxy-3-HEXANONE DIMETHYLKETAL3-Hexanone dimethyl acetal
Database identifiers
- CAS
116549-34-9- PubChem CID
- 568629
- DTXSID
DTXSID80340936- EC Number
- 678-104-6
- Nikkaji
- J208.434A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77.3
Physicochemical properties
- Boiling point
- 161 · 161.0±8.0 °C(Predicted)
- Density
- 0.87 · 0.87
- refractive index
- 1.408 · 1.4080-1.4100
- 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
- 3271 · 3271
- 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
- 3271
- 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
Suppliers9 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…