(3,3-Dimethylbutan-2-yl)benzene
Basic information
- CAS
19262-20-5- Standard SMILES
CC(c1ccccc1)C(C)(C)C- InChIKey
UYOAOYYUSXVILM-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- (3,3-Dimethylbutan-2-yl)benzene
- IUPAC
- 3,3-dimethylbutan-2-ylbenzene
- English name
- 1-(1,2,2-Trimethylpropyl)benzene
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
19262-20-5(3,3-DIMETHYLBUTAN-2-YL)BENZENEDTXSID90940926RefChem:399242DTXCID401369378830-424-9(1,2,2-TRIMETHYLPROPYL)BENZENE3,3-dimethylbutan-2-ylbenzeneBenzene, (1,2,2-trimethylpropyl)-1-(1,2,2-Trimethylpropyl)benzene2-PHENYL-3,3-DIMETHYLBUTANESCHEMBL416895
Show more names
1,2,2-Trimethylpropylbenzene
SCHEMBL596278SCHEMBL6886486SCHEMBL6886487SCHEMBL7698518SCHEMBL10411932SCHEMBL27907291NS00057688EN300-6496197
Database identifiers
- CAS
19262-20-5- PubChem CID
- 29524
- DTXSID
DTXSID90940926- EC Number
- 830-424-9
- Nikkaji
- J114.086H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 69 · 69-73 °C(Press: 0.2 Torr)
- Density
- 0.858 · 0.858±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H315-H302-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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