Tricyclohexyl citrate
Basic information
- CAS
4132-10-9- Standard SMILES
O=C(CC(O)(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1)OC1CCCCC1- InChIKey
CBKMOPGKNJBDFA-UHFFFAOYSA-N- Molecular formula
- C24H38O7
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.26175355
Names & identifiers
- Preferred name
- Tricyclohexyl citrate
- IUPAC
- tricyclohexyl 2-hydroxypropane-1,2,3-tricarboxylate
Names & synonyms
tricyclohexyl citrateTri(cyclohexyl) citrate4132-10-96SA8765839Citric acid, tricyclohexyl esterDTXSID00194291EINECS 223-951-51,2,3-Propanetricarboxylic acid, 2-hydroxy-, tricyclohexyl ester1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, 1,2,3-TRICYCLOHEXYL ESTERRefChem:899374DTXCID10116782223-951-5
Show more names
tricyclohexyl 2-hydroxypropane-1,2,3-tricarboxylateCitric Acid Impurity 14SCHEMBL2018036CBKMOPGKNJBDFA-UHFFFAOYSA-NUNII-6SA8765839NS00049685Q27265427
Database identifiers
- CAS
4132-10-9- PubChem CID
- 77782
- DTXSID
DTXSID00194291- UNII
- 6SA8765839
- EC Number
- 223-951-5
- Nikkaji
- J224.941C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 565
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
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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