Basic information
- CAS
5107-67-5- Standard SMILES
O=C(O)CCC1(CCC(=O)O)CCCC(CCC(=O)O)(CCC(=O)O)C1=O- InChIKey
CIVMSMDSVPVXSU-UHFFFAOYSA-N- Molecular formula
- C18H26O9
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.1576824
Names & identifiers
- Preferred name
- 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid
- IUPAC
- 3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid
- English name
- 2-OXO-1,1,3,3-CYCLOHEXANETETRAPROPIONIC ACID
- Molecular formula
- C18H26O9
- Molecular weight
- 386.39
Names & synonyms
2-Oxocyclohexane-1,1,3,3-tetrapropionic acid1,1,3,3-Cyclohexanetetrapropanoic acid, 2-oxo-EINECS 225-833-92-Oxo-1,1,3,3-cyclohexanetetrapropanoic acidDTXSID90199073NSC 10754NSC 67446RefChem:477781DTXCID20121564225-833-95107-67-52-OXO-1,1,3,3-CYCLOHEXANETETRAPROPIONIC ACID
Show more names
CIVMSMDSVPVXSU-UHFFFAOYSA-N2-OXO-1,1,3,3-CYCLOHEXANETETRAPROPIONCYCLOHEXANONE-2 2 6 6-TETRAPROPIONIC ACID2-Oxycylohexane-1,1,3,3-tetraoropioniacid1,3,3-Cyclohexanetetrapropanoicacid,2-oxo-12-OXO-1 1 3 3-CYCLOHEXANETETRAPROPIONIC ACID 97%
3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acidMLS002638163NSC-10754NSC-674462,6,6-Tetrakis(2-carboxyethyl)cyclohexanone1,3,3-Cyclohexanetetrapropanoic acid, 2-oxo-1,3,3-Cyclohexanetetrapropionic acid, 2-oxo-NSC67446
Database identifiers
- CAS
5107-67-5- PubChem CID
- 78784
- DTXSID
DTXSID90199073- UNII
- M4T2KT8L2T
- EC Number
- 225-833-9
- Nikkaji
- J203.302J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- Density
- 1.4 · 1.4[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 4.76 · 4.76[at 20 ℃]
- LogP
- -1.67 at · -1.67 at 23.3℃
- Signal word
- Danger
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 60% (3 of 5) of all reports.
H412 (40%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-oxocyclohexane-1,1,3,3-tetrapropionic acid (EC: 225-833-9)
1,1,3,3-Cyclohexanetetrapropanoic acid, 2-oxo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 3 (40%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,1,3,3-Cyclohexanetetrapropanoic acid, 2-oxo-: ACTIVE
Suppliers6 total
郑州汇聚化工有限公司13393710386 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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