Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
Basic information
- CAS
6829-42-1- Standard SMILES
CCOC(=O)CC(C)CC(=O)OCC- InChIKey
SEWQUYBTRMDUQS-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
- IUPAC
- diethyl 3-methylpentanedioate
- English name
- Diethyl-3-methylglutarate
- Molecular formula
- C10H18O4
- Molecular weight
- 202.25
Names & synonyms
6829-42-1Pentanedioic acid, 3-methyl-, 1,5-diethyl esterbeta-Methyl diethyl glutarateEINECS 229-906-6DTXSID3064483Pentanedioic acid, 3-methyl-, diethyl esterRefChem:859925DTXCID2045818diethyl 3-methylpentanedioateDIETHYL-3-METHYLGLUTARATE1,5-diethyl 3-methylpentanedioateDiethyl 3-methylglutarate
Show more names
iethyl3-methylpentanedioate3-Methylpentanedioic acid diethyl ester
AA4HK37RUKSCHEMBL5972479SEWQUYBTRMDUQS-UHFFFAOYSA-NDB-055127NS00036521
Database identifiers
- CAS
6829-42-1- PubChem CID
- 81273
- DTXSID
DTXSID3064483- UNII
- AA4HK37RUK
- EC Number
- 229-906-6
- Nikkaji
- J298.130K
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 169
Physicochemical properties
- Boiling point
- 136 °C · 136 °C(Press: 30 Torr)
- Density
- 0.9999 g/cm3 · 0.9999 g/cm3
- FDA UNII
- 4 HK37RUK · AA4HK37RUK
- EPA Substance Registry System
- 3 · Pentanedioic acid, 3-methyl-, 1,5-diethyl ester (6829-42-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanedioic acid, 3-methyl-, 1,5-diethyl ester: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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