Dibenzyl
Basic information
- CAS
103-29-7- Standard SMILES
c1ccc(CCc2ccccc2)cc1- InChIKey
QWUWMCYKGHVNAV-UHFFFAOYSA-N- Molecular formula
- C14H14
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.10955045
Overview
1,2-dihydrostilbene is a diphenylethane that is the 1,2-dihydro derivative of stilbene.
Names & identifiers
- Preferred name
- Dibenzyl
- IUPAC
- 2-phenylethylbenzene
- English name
- 1,2-Diphenylethane
- Molecular formula
- C14H14
- Molecular weight
- 182.26096
Names & synonyms
1,2-DiphenylethaneBIBENZYL103-29-7Dibenzyl1,2-DihydrostilbeneDibenzilsym-Diphenylethane2-phenylethylbenzeneBenzene, 1,1'-(1,2-ethanediyl)bis-DTXSID8041668NSC-30686007C07V77Z
Show more names
DTXCID6021668CHEBI:340471,1'-(1,2-ethanediyl)bis(benzene)RefChem:119638203-096-4(2-Phenylethyl)benzenes-DiphenylethaneDihydrostilbene
Database identifiers
- CAS
103-29-7- PubChem CID
- 7647
- DTXSID
DTXSID8041668- ChEMBL
CHEMBL440895- ChEBI
CHEBI:34047- UNII
- 007C07V77Z
- EC Number
- 203-096-4
- Nikkaji
- J5.013J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PolymersPolycyclic aromatic hydrocarbon
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.6
Density1.00 @25 °C
Boiling Point284 °C @760 [mm Hg]
Melting Point52 °C
Physical Description
Liquid
Solid; [Merck Index] White crystals, insoluble in water; [MSDSonline]
Physicochemical properties
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
This chemical does not meet GHS hazard criteria for 46.2% (91 of 197) of reports.
H413 (53.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 197 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 1,1'-(1,2-ethanediyl)bis-
Benzene, 1,1'-(1,2-ethanediyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1,2-ethanediyl)bis- 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)
REACH registered substance: 1,2-diphenylethane (EC: 203-096-4)
Benzene, 1,1'-(1,2-ethanediyl)bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline]
Hazard Classes and CategoriesAquatic Chronic 4 (53.8%)
Safety & protection
Protective Action Criteria (PAC)
14 [mg/m3]
150 [mg/m3]
890 [mg/m3]
Safety data
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate in the biosynthesis of dihydrophenanthrenes from phenylalanine; [ChemIDplus]
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFlame retardant
Industry UsesInsulators
General Manufacturing Information
Electrical Equipment, Appliance, and Component Manufacturing
Benzene, 1,1'-(1,2-ethanediyl)bis-: ACTIVE
Related reactions
17 records
Compound notes
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