Basic information
- CAS
1129-29-9- Standard SMILES
C=C(C)c1cccc(C(C)C)c1- InChIKey
BDXXZCIRCYKRBT-UHFFFAOYSA-N- Molecular formula
- C12H16
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.12520051
Overview
1-(1-methylethenyl)-3-(1-methylethyl)-benzene is an olefinic compound.
Names & identifiers
- Preferred name
- 1-(1-Methylethenyl)-3-(1-methylethyl)benzene
- IUPAC
- 1-propan-2-yl-3-prop-1-en-2-ylbenzene
- English name
- 1-iso-Propenyl-3-iso-propylbenzene
- Molecular formula
- C12H16
- Molecular weight
- 160.26
Names & synonyms
1-Isopropenyl-3-isopropylbenzene1129-29-91-(1-Methylethenyl)-3-(1-methylethyl)benzeneDTXSID50150201RefChem:419876DTXCID50726921-propan-2-yl-3-prop-1-en-2-ylbenzene1-ISO-PROPENYL-3-ISO-PROPYLBENZENE1-(1-methylethenyl)-3-(1-methylethyl)-benzeneStyrene, m-isopropyl-.alpha.-methyl-Benzene, 1-(1-methylethenyl)-3-(1-methylethyl)-m-isopropenylcumene
Show more names
m-Isopropyl-alpha-methylstyreneStyrene, m-isopropyl-alpha-methyl-1-propan-2-yl-3-prop-1-en-2-yl-benzene
Trihexyphenidyl Impurity 20SCHEMBL299924SCHEMBL1536276SCHEMBL7977708SCHEMBL31529664CHEBI:88570m-Isopropyl-.alpha.-methylstyreneAKOS006272943
Database identifiers
- CAS
1129-29-9- PubChem CID
- 136907
- DTXSID
DTXSID50150201- ChEBI
CHEBI:88570- EC Number
- 887-163-9
- Nikkaji
- J24.278K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 35 °C · 35 °C(Press: 0.01 Torr)
- Density
- 0.864 · 0.864±0.06 g/cm3(Predicted)
- REACH Registrations
- Active
Safety & regulation
Hazard information
Regulatory InformationStatus: Active Update: 12-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34374
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康泺新材料科技有限公司021-021-51601195 19512239872
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Additional notes
DefinitionChEBI: 1-(1-methylethenyl)-3-(1-methylethyl)-benzene is an olefinic compound.
Related reactions
1 records
Compound notes
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