Basic information
- CAS
630-51-3- Standard SMILES
CC(C)(C(=O)O)C(C)(C)C(=O)O- InChIKey
CDPPYCZVWYZBJH-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Tetramethylsuccinic acid
- IUPAC
- 2,2,3,3-tetramethylbutanedioic acid
- English name
- 2,2,3,3-Tetramethylsuccinic acid, 97
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
2,2,3,3-Tetramethylsuccinic acidTetramethylsuccinic acid2,2,3,3-tetramethylbutanedioic acidNG22HEH2M7NSC-92372NSC 92372BUTANEDIOIC ACID, 2,2,3,3-TETRAMETHYL-RefChem:897367811-900-5630-51-3Tetramethylbutanedioic acidButanedioic acid, tetramethyl-
Show more names
tetramethylsuccinicacidsuccinicacid,tetramethyl-tetramethylbutanedioicacidbutanedioicacid,tetramethyl-
2,2,3,3-Tetramethyl-succinic acidMFCD00829122Succinic acid, tetramethyl-Maybridge1_0021962,2,3,3-Tetramethylbutane-1,4-dioic acidUNII-NG22HEH2M72,2,3,3-TETRAMETHYLSUCCINIC ACID, 97NCIOpen2_001461
Database identifiers
- CAS
630-51-3- PubChem CID
- 136453
- DTXSID
DTXSID30212210- UNII
- NG22HEH2M7
- EC Number
- 811-900-5
- Nikkaji
- J134.599K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 204 · 204-206
- Boiling point
- 345.17 °C · 345.17°C (rough estimate)
- Density
- 1.3 · 1.3000
- refractive index
- 1.4338 · 1.4338 (estimate)
- Flash point
- 125.1 oC · 125.1oC
- storage temp.
- 2 · 2-8°C
- pka
- 1 · pK1:3.50;pK2:7.28 (25°C)
- form
- powder
- color
- White
- Water Solubility
- 4.8 g/L · 4.8g/L(13.5 ºC)
- InChI
- InChI=1S/C8H14O4/c1-7(2,5(9)10)8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12)
- InChIKey
- CDPPYCZVWYZBJH-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(C)(C)C(C)(C)C(O)=O
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
Danger
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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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%)
Safety data
- hs_code
- 2917198090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H318-H332-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P310-P312-P321-P330-P332+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
UsesTetramethylsuccinic Acid can be useful in the synthesis of nitroalkyls and nitroarenes.
Description2,2,3,3-Tetramethylsuccinic acid is an organic acid compound that is a product of the interaction of lithium acrylate α-carbon ions with 1,2-dibromoalkanes, and is mainly used in chemical materials and experimental research[1].
Upstream & downstream products
Upstream raw materials
Suppliers15 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…