3,4-Diethoxytoluene
Basic information
- CAS
2612-56-8- Standard SMILES
CCOc1ccc(C)cc1OCC- InChIKey
ABJOFFUIJZDZBE-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 3,4-Diethoxytoluene
- IUPAC
- 1,2-diethoxy-4-methylbenzene
- English name
- 3 4-Diethoxytoluene 96
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
3,4-Diethoxytoluene1,2-diethoxy-4-methylbenzeneHJ8K4Y5ZTREINECS 220-039-9Benzene, 1,2-diethoxy-4-methyl-DTXSID80180758TOLUENE, 3,4-DIETHOXY-RefChem:91055DTXCID20103249220-039-92612-56-8UNII-HJ8K4Y5ZTR
Show more names
3 4-Diethoxytoluene 96
SCHEMBL309719SCHEMBL805356AKOS015889101AS-86526NS00028034H618643,4-Diethoxytoluene, 633593_ALDRICH, EINECS 220-039-9, MolPort-003-937-933, CID75788, 2612-56-8
Database identifiers
- CAS
2612-56-8- PubChem CID
- 75788
- DTXSID
DTXSID80180758- UNII
- HJ8K4Y5ZTR
- EC Number
- 220-039-9
- Nikkaji
- J192.117G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 65 °C · 65 °C(Press: 0.1 Torr)
- Density
- 1 g/mL · 1.000 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5080(lit.)
- Flash point
- 217 °F · 217 °F
- FDA UNII
- 8 K4Y5ZTR · HJ8K4Y5ZTR
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-36/39
- WGK Germany
- 3 · 3
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/39
- Hazard statements
- H302-H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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