1,3,5-Triethylbenzene
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Basic information
- CAS
102-25-0- Standard SMILES
CCc1cc(CC)cc(CC)c1- InChIKey
WJYMPXJVHNDZHD-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085058
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3,5-Triethylbenzene
- IUPAC
- 1,3,5-triethylbenzene
- English name
- 1,3,5-TRIETHYLBENZENE
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
1,3,5-TRIETHYLBENZENE102-25-0Benzene, 1,3,5-triethyl-02K328WWZQNSC-406584DTXSID30881228RefChem:72334DTXCID907867203-017-3MFCD00009261UNII-02K328WWZQEINECS 203-017-3
Show more names
1,3,5-triethyl-benzen1,3,5-TriethylSYM-TRIETHYLBENZENEGlycerol Impurity 541,3,5-trierhylbenzeneLABOTEST-BB LT004369841,3,5 threeethylbenzene1,3,5-Triethylbenzene >
NSC4065841,5-TriethylbenzeneNSC 406584AI3-04219Benzene,3,5-triethyl-1,3,5-triethyl-benzene1,3,5-Triethyl benzeneSCHEMBL147391
Database identifiers
- CAS
102-25-0- PubChem CID
- 7602
- DTXSID
DTXSID30881228- UNII
- 02K328WWZQ
- EC Number
- 203-017-3
- Nikkaji
- J110.674K
Properties
Computed structural propertiesFilling in
- 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
- 81.4
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -66 °C · -66 °C
- Boiling point
- 215 °C · 215 °C (lit.)
- Density
- 0.862 g/mL · 0.862 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.495(lit.)
- Flash point
- 178 °F · 178 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- Insoluble in water. Soluble in alcohol, ether.
- BRN
- 2039481 · 2039481
- Henry's Law Constant
- 1 · 1.0×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
- InChI
- InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBenzene, 1,3,5-triethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 2902.90.9000
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3,5-triethyl-: ACTIVE
Applications
Uses1,3,5-Triethylbenzene was used as a supramoelcular template to organize molecular-recognition elements. It was also used to synthesize a series of di- and trinucleating ligands.
Upstream & downstream products
Downstream products
Related reactions
5,764 records
Compound notes
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