Grundinformationen
- Standard-SMILES
Cc1ccccc1Cc1ccccc1- InChIKey
PQTAUFTUHHRKSS-UHFFFAOYSA-N- Summenformel
- C14H14
- Durchschnittliche Molmasse
- 182,26 g/mol
- Monoisotopische Masse
- 182,10955045
Überblick
heat transfer agent; RN given refers to cpd without specified locants
Namen und Bezeichner
- Bevorzugter Name
- 2-Benzyltoluene
- IUPAC
- 1-benzyl-2-methylbenzene
- Lokaler Name
- Benzyltoluol
- Englischer Name
- benzyltoluene
- Summenformel
- C14H14
- Molmasse
- 182.26096
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
27776-01-8、713-36-0- PubChem CID
- 69738
- DTXSID
DTXSID40892047- UNII
- M5THG68A7C
- EC Number
- 211-927-7、248-654-8
- Nikkaji
- J116.805C
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
- 14
- Formalladung
- 0
- Komplexität
- 155
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Liquid; [IUCLID] Clear liquid with an aromatic odor; [Nisseki Chemical Texas MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -55 °C · -55 °C
- Siedepunkt
- 125 · 125-128 °C(Press: 7 Torr)
- Dichte
- 0.999 · 0.999[at 20℃]
- Dampfdruck
- 0.66 · 0.66-1.33Pa at 20℃
- Wasserlöslichkeit
- 3.7 · 3.7-3.97mg/L at 20℃
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChIKey
- SIYISNUJKMAQBV-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(C)C=C1)CC1C=CC=CC=1
- LogP
- 4.35 · 4.35-4.935 at 20-25℃
- EPA chemische Informationen
- Benzyltoluene (27776-01-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264, P273, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, methyl(phenylmethyl)-
Benzene, methyl(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, methyl(phenylmethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2131
Benzene, methyl(phenylmethyl)-: 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.
Hazards Summary
Contains 2-5% 1,1-diphenylethane (CAS# 612-00-0) and 0-2% diphenylmethane (CAS# 101-81-5); A moderate skin and minor eye irritant in rabbits; Not a skin sensitizer in guinea pigs; Inhalation overexposure may cause CNS depression; An aspiration hazard by ingestion (may cause lung damage); [Nisseki Chemical Texas MSDS] See Diphenylmethane.
Hazard Classes and Categories
Asp. Tox. 1 (100%)
Skin Irrit. 2 (100%)
Toxikologische Informationen
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Electrical Equipment, Appliance, and Component Manufacturing
Benzene, 1-methyl-2-(phenylmethyl)-: INACTIVE
Benzene, methyl(phenylmethyl)-: ACTIVE
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