2-Phenylpentane
Basic information
- CAS
2719-52-0- Standard SMILES
CCCC(C)c1ccccc1- InChIKey
LTHAIAJHDPJXLG-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 2-Phenylpentane
- IUPAC
- pentan-2-ylbenzene
- English name
- 2-PHENYLPENTANE
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
2-PHENYLPENTANEsec-PentylbenzeneBenzene, sec-pentyl-sec-Amylbenzene1-Phenyl-1-methylbutaneBenzene, (1-methylbutyl)-EINECS 249-553-1(1-Methybutyl)benzene1-Methyl-n-butylbenzene1-Methyl-1-PhenylbutaneEINECS 220-324-8DTXSID10870993
Show more names
sec-pentyl-benzen(1-METHYLBUTYL)BENZENE
RefChem:89096DTXCID20818669220-324-8249-553-1LTHAIAJHDPJXLG-UHFFFAOYSA-N2719-52-0pentan-2-ylbenzene29316-05-0
Database identifiers
- CAS
2719-52-0、29316-05-0- PubChem CID
- 17627
- DTXSID
DTXSID10870993- EC Number
- 220-324-8、249-553-1
- Nikkaji
- J54.896K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 90.2
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 190 °C · 190°C
- Density
- 0.86 · 0.86
- refractive index
- 1.4853 · 1.4853
- Henry's Law Constant
- 4.3 · 4.3×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- CAS DataBase Reference
- 2719 · 2719-52-0
- EWG's Food Scores
- 1 · 1
- Hazard statements
- 413 · H413
- Safety Statements
- 24 · 24/25
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- safety_code
- 24/25
- Hazard statements
- H413
Chemistry & industry
Applications
UsesWeed control, chemical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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