1,3,5-Triethylbenzene (HCID 7602)

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 properties

XLogP: 4.3
Topological polar surface area: 0 Å²
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
InChIKey: WJYMPXJVHNDZHD-UHFFFAOYSA-N
SMILES: C1(CC)=CC(CC)=CC(CC)=C1
CAS DataBase Reference: 102 · 102-25-0(CAS DataBase Reference)
FDA UNII: 2 K328WWZQ · 02K328WWZQ
EPA Substance Registry System: 1 · Benzene, 1,3,5-triethyl- (102-25-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H413
Precautionary statements: 264 · P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/38
Safety Statements: 26 · 26
RIDADR: 3082 · UN 3082 9/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2902.9 · 2902.90.9000
HazardClass: 9 · 9
PackingGroup: III
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Eye · Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

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
packing_group: III
Hazard statements: H315-H319-H413
Hazard Classifications: Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P273-P280-P302+P352-P305+P351+P338-P332+P313

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.