Grundinformationen
- CAS
2049-95-8- Standard-SMILES
CCC(C)(C)c1ccccc1- InChIKey
QHTJSSMHBLGUHV-UHFFFAOYSA-N- Summenformel
- C11H16
- Durchschnittliche Molmasse
- 148,24 g/mol
- Monoisotopische Masse
- 148,12520051
Namen und Bezeichner
- Bevorzugter Name
- tert-Amylbenzene
- IUPAC
- 2-methylbutan-2-ylbenzene
- Lokaler Name
- tert-Pentylbenzol
- Englischer Name
- tert-Amylbenzene
- Summenformel
- C11H16
- Molmasse
- 148.24
Namen und Synonyme
tert-Pentylbenzenetert-Amylbenzene2049-95-82-Methyl-2-phenylbutaneBenzene, (1,1-dimethylpropyl)-(1,1-DIMETHYLPROPYL)BENZENEBenzene, tert-pentyl-2-Phenyl-2-methylbutaneER8C1TON3XNSC 4025EINECS 218-076-0BRN 2039053
Weitere Namen anzeigen
T-AMYLBENZENEtert-PentylbenT-PENTYLBENZENEtert-pentyl-benzenBenzene,tert-pentytert-Amylbenzene >Benzene, tert-pentyl-
AI3-00117NSC-4025DTXSID7051848EC 218-076-04-05-00-01090 (Beilstein Handbook Reference)tertPentylbenzeneBenzene, tertpentyl2Methyl2phenylbutane
Datenbank-Bezeichner
- CAS
2049-95-8- PubChem CID
- 16295
- DTXSID
DTXSID7051848- ChEMBL
CHEMBL1797417- UNII
- ER8C1TON3X
- EC Number
- 218-076-0
- Nikkaji
- J47.201H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 107
Experimentelle und physikochemische Eigenschaften
SolventsSolvents -> Aromatic Solvents
SpringerMaterials PropertiesChemical shift
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -44.72 °C · -44.72°C (estimate)
- Siedepunkt
- 188 · 188-191°C
- Dichte
- 0 · 0,87 g/cm3
- Brechungsindex
- 1.496 · 1.4960
- Flammpunkt
- 65 °C · 65°C
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- liquid
- Farbe
- Colorless to Light yellow
- Wasserlöslichkeit
- 10.5 mg/L · 10.5mg/L(25 ºC)
- BRN
- 2039053 · 2039053
- Henry's Law Constant
- 5.4 · 5.4×10-4 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
- Major Application
- battery manufacturing
- InChI
- InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
- InChIKey
- QHTJSSMHBLGUHV-UHFFFAOYSA-N
- SMILES
- C1(C(C)(C)CC)=CC=CC=C1
- CAS Datenbank
- 2049 · 2049-95-8(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Phenyl-2-methyl butane(2049-95-8)
- EPA chemische Informationen
- tert-Amylbenzene (2049-95-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H221 (10%): Flammable gas [Danger Flammable gases]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P377, P381, P391, P403, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 26-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10564
Hazards Summary
Causes acute pulmonary edema, hemorrhage, and focal fibrosis in oral lethal-dose studies of rats; Oral LD50 (rat) = 5 mL/kg; [RTECS] n-Amylbenzene and sec-amylbenzene can cause narcosis at high concentrations; [Hawley] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- UN1993 - class 3 - PG 3 - EHS - Flammable liquids, n.o.s., HI: all
- hs_code
- 29029090
- RTECS-Nr.
- DA6720000
- Toxizität
- LDLo orl-rat: 10 mL/kg AMIHAB 19,403,59
- safety_code
- 23-24/25
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Aquatic Chronic 2Flam. Liq. 3Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzene, (1,1-dimethylpropyl)-: ACTIVE
Anwendungen
VerwendenThe presence of electrolyte additives enhances the performance of lithium ion batteries by improving their thermal stability and ionic conductivity. Additives also reduce the flammability of electrolytes and provide overcharge protection. t-Amyl benzene finds application as additive in lithium ion batteries and its addition in grade would be good expansion of our LIB portfolio.
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