1-Ethenyl-4-(1-methylethyl)benzene
Basic information
- CAS
2055-40-5- Standard SMILES
C=Cc1ccc(C(C)C)cc1- InChIKey
QQHQTCGEZWTSEJ-UHFFFAOYSA-N- Molecular formula
- C11H14
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.10955045
Names & identifiers
- Preferred name
- 1-Ethenyl-4-(1-methylethyl)benzene
- IUPAC
- 1-ethenyl-4-propan-2-ylbenzene
- English name
- 4-iso-Propyl styrene
- Molecular formula
- C11H14
- Molecular weight
- 146.23
Names & synonyms
2055-40-5p-Isopropylstyrene1-ethenyl-4-(1-methylethyl)benzeneDTXSID40174552RefChem:1055364DTXCID4097043218-151-84-isopropyl styrene4-ISO-PROPYLSTYRENE1-ethenyl-4-(propan-2-yl)benzene1-ethenyl-4-propan-2-ylbenzene1-Isopropyl-4-vinyl-benzene
Show more names
styrene,p-isopropyl-Isopropyl-4-vinylbenzene1-ethenyl-4-propan-2-yl-benzene
Benzene, 1-ethenyl-4-(1-methylethyl)-4-Iso-propyl styrene1-Isopropyl-4-vinylbenzeneEINECS 218-151-8Benzene,1-ethenyl-4-(1-methylethyl)-1-Vinyl-4-isopropylbenzeneSCHEMBL367595SCHEMBL694438
Database identifiers
- CAS
2055-40-5- PubChem CID
- 74928
- DTXSID
DTXSID40174552- EC Number
- 218-151-8
- Nikkaji
- J298.672H
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
- 116
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -44.7 °C · -44.7°C
- Boiling point
- 80 °C · 80°C 20mm
- Density
- 0.885 · 0.8850
- refractive index
- 1.5289 · 1.5289
- InChI
- InChI=1S/C11H14/c1-4-10-5-7-11(8-6-10)9(2)3/h4-9H,1H2,2-3H3
- InChIKey
- QQHQTCGEZWTSEJ-UHFFFAOYSA-N
- SMILES
- C1(C=C)=CC=C(C(C)C)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
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
- ridadr
- 1993
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 16-26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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