o-Diethoxybenzene
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Basic information
- CAS
2050-46-6- Standard SMILES
CCOc1ccccc1OCC- InChIKey
QZYDOKBVZJLQCK-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- o-Diethoxybenzene
- IUPAC
- 1,2-diethoxybenzene
- English name
- 1,2-Diethoxybenzene
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
1,2-DIETHOXYBENZENE2050-46-6o-DiethoxybenzeneBenzene, 1,2-diethoxy-Catechol diethyl etherBenzene, o-diethoxy-DTXSID6038798EINECS 218-089-1BRN 2046149AI3-24177NSC 6189P9DM5T78PZ
Show more names
Phthalic ether1.2- twophenetoleo-diethoxy-benzen1,2-diethoxy-benzen1,2-DiethoxyanilineDIETHOXYBENZENE-1,2
DTXCID4018798NSC-6189EC 218-089-14-06-00-05565 (Beilstein Handbook Reference)RefChem:855246218-089-1o-Diethoxy benzenePyrocatechol Diethyl Ether
Database identifiers
- CAS
2050-46-6- PubChem CID
- 74904
- DTXSID
DTXSID6038798- ChEMBL
CHEMBL2252466- UNII
- P9DM5T78PZ
- EC Number
- 218-089-1
- Nikkaji
- J80.378B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 100
Experimental & physicochemical properties
LogP2.42
Physical DescriptionOther Solid
Physicochemical properties
- Melting point
- 43 · 43-45 °C
- Boiling point
- 218 · 218-220°C
- Density
- 1 · 1,005 g/cm3
- vapor pressure
- 5.7 Pa · 5.7Pa at 20℃
- refractive index
- 1.5083 · 1.5083 (estimate)
- Flash point
- 218 · 218-220°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Low Melting Mass or Liquid
- color
- Light brown
- Water Solubility
- 646 mg/L · 646mg/L at 20℃
- BRN
- 2046149 · 2046149
- LogP
- 2.64 at · 2.64 at 20℃
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 2% (1 of 49) of reports.
Danger
H318 (79.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Benzene, 1,2-diethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-diethoxy- 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: 18-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12558
Peroxide Forming Chemical
o-Diethoxybenzene
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesEye Dam. 1 (79.6%)
Safety data
- tsca
- TSCA listed
- rtecs
- CZ5580000
- hs_code
- 29093090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, 1,2-diethoxy-: ACTIVE
Applications
Uses1,2-Diethoxybenzene is used as a pharmaceutical raw material and pesticide intermediate, and is an intermediate for the fungicide ethoxycarb.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
7 records
Compound notes
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