3,3-Dimethyl-pentanedioic acid dimethyl ester
Basic information
- CAS
19184-67-9- Standard SMILES
COC(=O)CC(C)(C)CC(=O)OC- InChIKey
NPEAPWIQJBAJIO-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- 3,3-Dimethyl-pentanedioic acid dimethyl ester
- IUPAC
- dimethyl 3,3-dimethylpentanedioate
- English name
- NISTC19184679
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22
Names & synonyms
3,3-DIMETHYL-PENTANEDIOIC ACID DIMETHYL ESTERPentanedioic acid, 3,3-dimethyl-, 1,5-dimethyl esterRefChem:485545621-346-4Dimethyl 3,3-dimethylpentanedioate19184-67-9MFCD00182435Pentanedioic acid, 3,3-dimethyl-, dimethyl esterMethyl 3,3-dimethylglutarateGlutaric acid, 3,3-dimethyl-, dimethyl esterNSC992233,3-DIMETHYLGLUTARIC ACID DIMETHYL ESTER
Show more names
NISTC19184679Dimethyl 3,3-dimethylglutarateimethyl3,3-dimethylpentanedioate3,3-Dimethylglutaric acid dimethyl3,3-Dimethylpentanedioic acid dimethyl3,3-Dimethylpentanedioic acid dimethyl ester3,3-Dimethyl-Pentanedioic Acid Dimethyl Ester(WX618056)
SCHEMBL667630Dimethyl3,3-dimethylpentanedioateDTXSID10172722NPEAPWIQJBAJIO-UHFFFAOYSA-NNSC 99223NSC-99223Dimethyl 3,3-dimethylpentanedioate #AKOS024332258
Database identifiers
- CAS
19184-67-9- PubChem CID
- 140489
- DTXSID
DTXSID10172722- EC Number
- 621-346-4
- Nikkaji
- J663G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Boiling point
- 243.23 °C · 243.23°C (rough estimate)
- Density
- 1.036 · 1.0360
- refractive index
- 1.4199 · 1.4199 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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