Basic information
- CAS
115643-65-7- Standard SMILES
Cc1cccc(Cc2ccccc2)c1Cc1ccccc1- InChIKey
PKQYSCBUFZOAPE-UHFFFAOYSA-N- Molecular formula
- C21H20
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.15650064
Names & identifiers
- Preferred name
- Methylbis(phenylmethyl)benzene
- IUPAC
- 1,2-dibenzyl-3-methylbenzene
- English name
- DIBENZYLTOLUENE
- Molecular formula
- C21H20
- Molecular weight
- 272.38
Names & synonyms
Show more names
Database identifiers
- CAS
115643-65-7、26898-17-9、29589-57-9、53585-53-8- PubChem CID
- 3034397
- DTXSID
DTXSID30968361- UNII
- 4CIN13K9HZ
- EC Number
- 248-097-0、249-706-2、258-649-2
- Nikkaji
- J195.700G
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 380 ° · 380°
- Density
- 1.043 · 1.043
- refractive index
- 20 · n20/D 1.604
- Flash point
- 200 °C · 200 °C
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 413 · H413
- Precautionary statements
- 210 · P210-P232-P233-P235-P260-P273-P280-P301+P310-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P311-P342+P311
- Hazard Codes
- N
- Risk Statements
- 51 · 51/53
- Safety Statements
- 61 · 61
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 5420000 · DA5420000
Safety & regulation
GHS classification
GHS Classification
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard];H360FD (100%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity];H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P273, P280, P301+P316, P318, P331, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Benzene, methylbis(phenylmethyl)-
Benzene, methylbis(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, methylbis(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: 14-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19786
Benzene, methylbis(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.
Dibenzyltoluene: 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 Categories
Asp. Tox. 1 (64.1%);Aquatic Chronic 2 (26.8%);Aquatic Chronic 4 (65.5%)
Asp. Tox. 1 (100%);Repr. 1B (100%);Aquatic Chronic 1 (100%)
Aquatic Chronic 4 (100%)
Regulatory information
Regulatory Information
Chemical: Benzene, methylbis(phenylmethyl)-
Benzene, methylbis(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, methylbis(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: 14-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19786
Benzene, methylbis(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.
Dibenzyltoluene: 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.
Safety data
- wgk
- 2
- rtecs
- DA5420000
- ridadr
- UN 3082 9/PG 3
- risk_code
- 51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- N
- safety_code
- 61
- Hazard statements
- H413
- Precautionary statements
- P210-P232-P233-P235-P260-P273-P280-P301+P310-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P311-P342+P311
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Petrochemical Manufacturing
Benzene, methylbis(phenylmethyl)-: ACTIVE
Suppliers59 total
Related reactions
Compound notes
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