Diethyl 3-methylcyclobutane-1,1-dicarboxylate
Basic information
- CAS
20939-62-2- Standard SMILES
CCOC(=O)C1(C(=O)OCC)CC(C)C1- InChIKey
CLSYQNLJGWLNKH-UHFFFAOYSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Names & identifiers
- Preferred name
- Diethyl 3-methylcyclobutane-1,1-dicarboxylate
- IUPAC
- diethyl 3-methylcyclobutane-1,1-dicarboxylate
- English name
- 3-methyl-1,1-cyclobutanedicarboxylic acid 1,1-diethyl ester
- Molecular formula
- C11H18O4
- Molecular weight
- 214.26
Names & synonyms
20939-62-2diethyl 3-methylcyclobutane-1,1-dicarboxylateDTXSID00300976RefChem:337884DTXCID702521101,1-DIETHYL 3-METHYLCYCLOBUTANE-1,1-DICARBOXYLATE1,1-Cyclobutanedicarboxylic acid, 3-methyl-, 1,1-diethyl esterNSC140252starbld0019541SCHEMBL12030067AKOS014326835AB89709
Show more names
3-Methyl-1,1-cyclobutanedicarboxylic acid diethyl ester3-methyl-1,1-cyclobutanedicarboxylic acid 1,1-diethyl ester
AT39673NSC-140252DA-23405EN300-1777083-Methyl-cyclobutane-1,1-dicarboxylic acid diethyl ester
Database identifiers
- CAS
20939-62-2- PubChem CID
- 284432
- DTXSID
DTXSID00300976- EC Number
- 977-429-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 230 · 230.0-233.5 °C
- Density
- 1.0168 g/cm3 · 1.0168 g/cm3
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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