Benzene, 1,4-dimethoxy-2,3-dimethyl-
Basic information
- CAS
39021-83-5- Standard SMILES
COc1ccc(OC)c(C)c1C- InChIKey
WSFDNTMCFUSSDT-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- Benzene, 1,4-dimethoxy-2,3-dimethyl-
- IUPAC
- 1,4-dimethoxy-2,3-dimethylbenzene
- English name
- 1,4-DiMethoxy-2,3-diMethylbenzene
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
1,4-Dimethoxy-2,3-dimethylbenzene39021-83-5Benzene, 1,4-dimethoxy-2,3-dimethyl-DTXSID80192290RefChem:562331DTXCID90114781661-598-2MFCD000947211,4-DIMETHOXY-2,3-DIMETHYL-BENZENE3,6-Dimethoxy-o-xyleneSCHEMBL1635785SCHEMBL10901594
Show more names
SCHEMBL29793327AKOS006271571AS-61618SY290283CS-0153602D82370F239954
Database identifiers
- CAS
39021-83-5- PubChem CID
- 148299
- DTXSID
DTXSID80192290- EC Number
- 661-598-2
- Nikkaji
- J628.789A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 246.5 · 246.5±35.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2909309090 · 2909309090
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
2 records
Compound notes
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