Basic information
- CAS
136210-32-7- Standard SMILES
CCOC(=O)CC(NC1CCC(CC2CCC(NC(CC(=O)OCC)C(=O)OCC)C(C)C2)CC1C)C(=O)OCC- InChIKey
YHVVJCQIMRGPPE-UHFFFAOYSA-N- Molecular formula
- C31H54N2O8
- Average molar mass
- 582.8 g/mol
- Monoisotopic mass
- 582.38801669
Names & identifiers
- Preferred name
- Aspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, 1,1',4,4'-tetraethyl ester
- IUPAC
- diethyl 2-[[4-[[4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]amino]butanedioate
- English name
- Aspartic acid, N,N-methylenebis(2-methyl-4,1-cyclohexanediyl)bis-, tetraethyl ester
- Molecular formula
- C31H54N2O8
- Molecular weight
- 582.77
Names & synonyms
bis(4-(1,2-bis(ethoxycarbonyl)ethylamino)-3-methylcyclohexyl)methaneDTXSID00869856EC 412-060-91,1'-Methylenebis((3-methylcyclohexyl-4)-2-aminobutanedioic acid), tetraethyl esterAspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, 1,1',4,4'-tetraethyl esterTetraethyl N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bisaspartateAspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, tetraethyl esterAspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, tetraethyl esterTetraethyl N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bisaspartateAspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, 1,1',4,4'-tetraethyl esterRefChem:560222DTXCID90817760
Show more names
Tetraethyl N,N'-[methylenebis(2-methyl-4,1-cyclohexane diyl)]bis(aspartate)Aspartic acid, N,N-methylenebis(2-methyl-4,1-cyclohexanediyl)bis-, tetraethyl esterAspartic acid, N,N'-[methylenebis(2-methyl-4,1-c yclohexanediyl)]bis-, 1,1',4,4'-tetraethyl ester
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 771
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 634.6 · 634.6±55.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- vapor pressure
- 0.002 Pa · 0.002Pa at 20℃
- pka
- 7.34 · 7.34±0.60(Predicted)
- Water Solubility
- 5 mg/L · 5mg/L at 20℃
- LogP
- 5.99 at · 5.99 at 20℃
- EWG's Food Scores
- 1 · 1-2
- EPA Substance Registry System
- Tetraethyl N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bisaspartate (136210-32-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H412
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-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
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.5% (1 of 183) of reports.
Warning
H317 (99.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory Information
Chemical: Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, tetraethyl ester
Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, 1,1',4,4'-tetraethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, 1,1',4,4'-tetraethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Bis(4-(1,2-bis(ethoxycarbonyl)ethylamino)-3-methylcyclohexyl)methane (EC: 412-060-9)
Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, tetraethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Sens. 1 (99.5%)
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPaint additives and coating additives not described by other categories
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, 1,1',4,4'-tetraethyl ester: ACTIVE
Suppliers4 total
Shenzhen Ruqinba Chemical Materials Co., Ltd.+86-13622390214 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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