Dimethyl 2-methylheptanedioate
Basic information
- CAS
33658-48-9- Standard SMILES
COC(=O)CCCCC(C)C(=O)OC- InChIKey
KNHPIDSTNJTCOI-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- Dimethyl 2-methylheptanedioate
- IUPAC
- dimethyl 2-methylheptanedioate
- English name
- 2-Methylpimelic acid dimethyl ester
- Molecular formula
- C10H18O4
- Molecular weight
- 202.25
Names & synonyms
Dimethyl 2-methylheptanedioate33658-48-92-methylpimelic acid dimethyl esterHeptanedioic acid, 2-methyl-, dimethyl esterDimethyl 2-methylheptane-1,7-dioate1,7-DIMETHYL 2-METHYLHEPTANEDIOATEMFCD11054856Dimethyl2-methylheptanedioateSCHEMBL4372385SCHEMBL7593987Dimethyl 2-methylheptanedioate #DTXSID90339957
Show more names
diMethyl 2-MethylpiMelateHexane-1,5-dicarboxylic acid dimethyl esterHeptanedioic acid, 2-methyl-, 1,7-dimethyl ester
KNHPIDSTNJTCOI-UHFFFAOYSA-NAKOS015998932AS-60067DB-307839CS-0327736F727176
Database identifiers
- CAS
33658-48-9- PubChem CID
- 560314
- DTXSID
DTXSID90339957- Nikkaji
- J127.754E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 98 · 98-100 °C(Press: 1.0 Torr)
- Density
- 1.006 · 1.006±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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