2-Methyl-3-phenylbutane
Basic information
- CAS
4481-30-5- Standard SMILES
CC(C)C(C)c1ccccc1- InChIKey
NQRMTOKLHZNAQH-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 2-Methyl-3-phenylbutane
- IUPAC
- 3-methylbutan-2-ylbenzene
- English name
- (1,2-Dimethylpropyl)benzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
4481-30-52-Methyl-3-phenylbutane3-Methyl-2-phenylbutaneRefChem:1063723(1,2-Dimethylpropyl)benzene(3-Methylbutan-2-yl)benzene3-methylbutan-2-ylbenzene2-Phenyl-3-methylbutaneButane, 2-methyl-3-phenyl-Benzene, (1,2-dimethylpropyl)-MFCD00059213Benzene,2-dimethylpropyl)-
Show more names
butane,2-methyl-3-phenyl-benzene,(1,2-dimethylpropyl)-(1,2-Dimethylpropyl)benzene >
1-(3-Methylbutan-2-yl)benzeneDTXSID10871081AB907841,2-dimethylpropylbenzeneNSC112995NSC 112995Butane, 2-methyl-3-p(3-Methyl-2-butyl)benzene
Database identifiers
- CAS
4481-30-5- PubChem CID
- 98361
- DTXSID
DTXSID10871081- EC Number
- 621-326-5
- Nikkaji
- J103.229A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 98.6
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 188 °C · 188 °C
- Density
- 0.866 · 0.8660
- refractive index
- 1.49 · 1.4900-1.4920
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 4.1 · 4.1×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501
- RIDADR
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
Danger
H225 (95%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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. 2 (95%)
Safety data
- ridadr
- 3082
- hs_code
- 2902.90.3050
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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