Benzene, (2,2-dimethylpropyl)-
Basic information
- CAS
1007-26-7- Standard SMILES
CC(C)(C)Cc1ccccc1- InChIKey
CJGXJKVMUHXVHL-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- Benzene, (2,2-dimethylpropyl)-
- IUPAC
- 2,2-dimethylpropylbenzene
- English name
- Neopentylbenzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
NEOPENTYLBENZENE1007-26-7Benzene, (2,2-dimethylpropyl)-(2,2-Dimethylpropyl)benzeneBenzene, neopentyl-UNII-7MHD03E5097MHD03E5091-PHENYL-2,2-DIMETHYLPROPANE2,2-Dimethyl-1-phenylpropaneDTXSID40143460RefChem:117270DTXCID8065951
Show more names
Neopentylbenzene>Neopentylbenzene, 97+%(2,2-Dimethylpropyl)Benzen(2,2-pimethylpropyl) benzene
CJGXJKVMUHXVHL-UHFFFAOYSA-NInChI=1/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H2,2-dimethylpropylbenzene(2,2-Dimethyl-1-propyl)benzeneMFCD00038279Neopentyl benzene1-neopentylbenzeneNeopentybenzene
Database identifiers
- CAS
1007-26-7- PubChem CID
- 13877
- DTXSID
DTXSID40143460- UNII
- 7MHD03E509
- EC Number
- 629-294-4
- Nikkaji
- J114.458H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 185 · 185-186 °C (lit.)
- Density
- 0.858 g/mL · 0.858 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.488(lit.)
- Flash point
- 123 °F · 123 °F
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- Slightly soluble in water.
- BRN
- 2037544 · 2037544
- Henry's Law Constant
- 3.8 · 3.8×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
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)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3295 3/PG 3
- hs_code
- 29029000
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P240-P241-P280a-P303+P361+P353-P501a
Chemistry & industry
Applications
UsesIt is used in the preparation of α-Disulfones by Cobalt(III) Oxidation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
11 records
Compound notes
Loading…