Dipentyl tartrate
Basic information
- CAS
20309-48-2- Standard SMILES
CCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCC- InChIKey
CHNUEARJLWZWOD-VXGBXAGGSA-N- Molecular formula
- C14H26O6
- Average molar mass
- 290.35 g/mol
- Monoisotopic mass
- 290.17293854
Names & identifiers
- Preferred name
- Dipentyl tartrate
- IUPAC
- dipentyl (2R,3R)-2,3-dihydroxybutanedioate
- English name
- dipentyl [R(R*,R*)]-tartrate
- Molecular formula
- C14H26O6
- Molecular weight
- 290.35
Names & synonyms
Dipentyl tartrateEINECS 243-724-4NSC 406535RefChem:588799243-724-4Dipentyl (R(R*,R*))-tartrateEINECS 275-542-671501-09-220309-48-2dipentyl (2R,3R)-2,3-dihydroxybutanedioateDi-n-amyl L-tartrateSCHEMBL30525457
Show more names
dipentyl [R(R*,R*)]-tartrate(2R,3R)-2,3-Dihydroxybutanedioic acid dipentyl esterButanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dipentyl ester
CHNUEARJLWZWOD-VXGBXAGGSA-NDTXSID701315087
Database identifiers
- CAS
20309-48-2、71501-09-2- PubChem CID
- 88485
- DTXSID
DTXSID701315087- EC Number
- 243-724-4、275-542-6
- Nikkaji
- J289.173E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 373 · 373.0±9.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 11.44 · 11.44±0.20(Predicted)
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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