2,2-Diisopropyl-1,3-dioxolane
Basic information
- CAS
4421-10-7- Standard SMILES
CC(C)C1(C(C)C)OCCO1- InChIKey
BIYJJEWTEPSHGZ-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 2,2-Diisopropyl-1,3-dioxolane
- IUPAC
- 2,2-di(propan-2-yl)-1,3-dioxolane
- English name
- 2,2-Diisopropyl-1,3-dioxolane
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
2,2-Diisopropyl-1,3-dioxolaneDTXSID40196072EINECS 224-591-1NSC 158333RefChem:441189DTXCID50118563224-591-14421-10-72,2-di(propan-2-yl)-1,3-dioxolane1,3-Dioxolane, 2,2-bis(1-methylethyl)-MFCD000209022,2-Bis(1-methylethyl)-1,3-dioxolane
Show more names
0/7/212,2-Diisopropyl-1,3-dioxolane>2,2-di(propan-2-yl)-1,3-dioxolane
NSC-1583332,2-bis(propan-2-yl)-1,3-dioxolaneDiisopropyldioxolanNSC158333M3BBP6TFP3SCHEMBL2628483BIYJJEWTEPSHGZ-UHFFFAOYSA-Diisopropyl ketone ethylene ketal
Database identifiers
- CAS
4421-10-7- PubChem CID
- 78137
- DTXSID
DTXSID40196072- UNII
- M3BBP6TFP3
- EC Number
- 224-591-1
- Nikkaji
- J150.354E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 171 · 171-172°C
- Density
- 0.93 · 0.93
- refractive index
- 1.431 · 1.4310-1.4350
- Flash point
- 171 · 171-172°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 4421 · 4421-10-7(CAS DataBase Reference)
- FDA UNII
- 3 BBP6TFP3 · M3BBP6TFP3
- 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-P241-P280a-P501a
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 3271 · 3271
- HazardClass
- 3 · 3
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 (11.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (11.6%)
Safety data
- ridadr
- 3271
- hs_code
- 29329990
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- 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-P241-P280a-P501a
Suppliers
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Related reactions
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Compound notes
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