1-Methyl-2-(3-penten-1-yl)benzene
Basic information
- CAS
6047-69-4- Standard SMILES
CC=CCCc1ccccc1C- InChIKey
NKEQCTWCOZGWSY-UHFFFAOYSA-N- Molecular formula
- C12H16
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.12520051
Names & identifiers
- Preferred name
- 1-Methyl-2-(3-penten-1-yl)benzene
- IUPAC
- 1-methyl-2-pent-3-enylbenzene
- English name
- 5-o-Tolyl-2-pentene 98
- Molecular formula
- C12H16
- Molecular weight
- 160.26
Names & synonyms
DTXSID8010452791-Methyl-2-(3-penten-1-yl)benzeneRefChem:433986DTXCID701527206Benzene, 1-methyl-2-(3-pentenyl)-SCHEMBL1876703SCHEMBL8078517SCHEMBL30035347NS00044932o-(3-pentenyl)toluene5-o-Tolyl-2-pentene 985-(2-Methylphenyl)-2-pentene
Show more names
1-Methyl-2-(3-pentenyl)benzeneBenzene, 1-methyl-2-(3-penten-1-yl)-5-o-tolyl-2-pentene, mixture of cis and trans
Database identifiers
- CAS
6047-69-4- PubChem CID
- 111142
- DTXSID
DTXSID801045279
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 227 °C · 227 °C(lit.)
- Density
- 0.887 g/mL · 0.887 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.512(lit.)
- Flash point
- 193 °F · 193 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 1
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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