Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
Basic information
- CAS
36265-41-5- Standard SMILES
CCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCCCCCCC)C1- InChIKey
VEUDMQNHACTHAL-UHFFFAOYSA-N- Molecular formula
- C33H59NO4
- Average molar mass
- 533.8 g/mol
- Monoisotopic mass
- 533.44440936
Overview
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Names & identifiers
- Preferred name
- Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
- IUPAC
- didodecyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
- Molecular formula
- C33H59NO4
- Molecular weight
- 533.82586
Names & synonyms
Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylateEINECS 252-939-2DTXSID00189804RefChem:586926DTXCID20112295252-939-236265-41-5didodecyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-DIDODECYL 2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATESCHEMBL1487517VEUDMQNHACTHAL-UHFFFAOYSA-N1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid didodecyl ester
Show more names
DHP 507Stavinor D 507Stabiliser DHPDilauryl 1,4-dihydro-2,6-dimetEquivalent to DHP Stavinor D5071,4-Dihydro-2,6-dimethyl-3,5-dicarbododecyloxypyrdine1,4-DIHYDRO-2,6-DIMETHYL-3-,5-DICARBODODECYLOXYPYRIDINEDidodecyl-1,4-dihydro-2,6-dimethylpyridin-3,5-dicarboxylatidodecyl2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateDilauryl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
FD180781DB-100922NS00057253
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 26
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 652
Experimental & physicochemical properties
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 93 · 93-94 °C(Solv: ethanol (64-17-5))
- Boiling point
- 603.3 · 603.3±55.0 °C(Predicted)
- Density
- 0.954 · 0.954±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 3.32 · 3.32±0.70(Predicted)
- InChI
- InChI=1S/C33H59NO4/c1-5-7-9-11-13-15-17-19-21-23-25-37-32(35)30-27-31(29(4)34-28(30)3)33(36)38-26-24-22-20-18-16-14-12-10-8-6-2/h34H,5-27H2,1-4H3
- InChIKey
- VEUDMQNHACTHAL-UHFFFAOYSA-N
- SMILES
- C1(C)NC(C)=C(C(OCCCCCCCCCCCC)=O)CC=1C(OCCCCCCCCCCCC)=O
- LogP
- 11.85 · 11.85
- Indirect Additives used in Food Contact Substances
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
This chemical does not meet GHS hazard criteria for 80% (24 of 30) of all reports.
Warning
H400 (20%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate (EC: 252-939-2)
Hazard Classes and CategoriesAquatic Acute 1 (20%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionDidodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate is a pharmaceutical intermediate mainly used in the production of a variety of medications. The compound, characterized by its light yellow-green powder form, ensures a purity of 97.0%. It is safe for handling but should be stored in a cool, dry environment away from sunlight and moisture. In the case of direct contact, medical attention should be sought.
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Related reactions
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Compound notes
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