Basic information
- CAS
17804-59-0- Standard SMILES
CCOC(=O)CC(C)(C)CC(=O)OCC- InChIKey
WKLBAFKOKJVNMN-UHFFFAOYSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.13615911
Names & identifiers
- Preferred name
- Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester
- IUPAC
- diethyl 3,3-dimethylpentanedioate
- English name
- 3,3-Dimethylpentanedioic acid diethyl ester
- Molecular formula
- C11H20O4
- Molecular weight
- 216.27
Names & synonyms
Diethyl 3,3-dimethylpentanedioateDiethyl 3,3-dimethylglutaratePentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester1,5-DIETHYL 3,3-DIMETHYLPENTANEDIOATEAI3-11601RefChem:85992317804-59-0Pentanedioic acid, 3,3-dimethyl-, diethyl ester3,3-Dimethylpentanedioic acid diethyl ester3,3-dimethyl-pentanedioic acid diethyl esterSCHEMBL232993DTXSID3066265
Show more names
3,3-Dimethylglutaric acid diethyl ester
MFCD00796007AKOS024342203DA-34865SY350389
Database identifiers
- CAS
17804-59-0- PubChem CID
- 87314
- DTXSID
DTXSID3066265- Nikkaji
- J191.575D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 93 °C · 93 °C(Press: 2 Torr)
- Density
- 0.996 · 0.996±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Pentanedioic acid, 3,3-dimethyl-, diethyl ester (17804-59-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H317-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester: INACTIVE
Suppliers5 total
阳谷荣科商贸有限公司15863541132 · [email protected]
舟山市艾科生物科技有限公司18957583039 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
Related reactions
2 records
Compound notes
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