Basic information
- CAS
3055-14-9- Standard SMILES
Cc1cc(C(C)C)cc(C(C)C)c1- InChIKey
SOALUUXENHDLMW-UHFFFAOYSA-N- Molecular formula
- C13H20
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.15650064
Names & identifiers
- Preferred name
- Benzene, 1-methyl-3,5-bis(1-methylethyl)-
- IUPAC
- 1-methyl-3,5-di(propan-2-yl)benzene
- English name
- 1,3-DI-ISO-PROPYL-5-METHYLBENZENE
- Molecular formula
- C13H20
- Molecular weight
- 176.3
Names & synonyms
3055-14-9Benzene, 1-methyl-3,5-bis(1-methylethyl)-1,3-Di-isopropyl-5-methylbenzeneToluene, 3,5-diisopropyl-DTXSID40184636NSC 812545-METHYL-1,3-DIISOPROPYLBENZENERefChem:117323DTXCID80107127SOALUUXENHDLMW-UHFFFAOYSA-N1,3-DI-ISO-PROPYL-5-METHYLBENZENE1,3-diisopropyl-5-methylbenzene
Show more names
1-Methyl-3,5-bis(1-Methylethyl)- benzene1,3-Diisopropyl-5-methylbenzene - [D94435]
1-methyl-3,5-di(propan-2-yl)benzeneMFCD000534141,3-diisopropyl-5-methyl-benzene3,5-Diisopropyltoluene1-methyl-3,5-bis(propan-2-yl)benzeneNSC81254SCHEMBL1395973SCHEMBL3172344
Database identifiers
- CAS
3055-14-9- PubChem CID
- 137809
- DTXSID
DTXSID40184636- EC Number
- 623-071-5
- Nikkaji
- J148.023E
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
- 13
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -60.8 °C · -60.8°C
- Boiling point
- 216.5 °C · 216.5°C
- Density
- 0.8668 · 0.8668
- refractive index
- 1.495 · 1.4950
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- CAS DataBase Reference
- 3055 · 3055-14-9
- Hazard statements
- 413 · H413
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
- Hazard statements
- H413
Chemistry & industry
Applications
Uses1,3-Di-iso-propyl-5-methylbenzene can be useful in the preparation of alkylbenzenes corresponding to light oil fraction of petroleum and determination of their retention indices. It can also be useful in the production of hydrocarbon oil from poly(3-hydroxybutyrate).
Suppliers3 total
上海尚饮思生化医药有限公司021-021-57872719 13761402923 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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