Basic information
- CAS
595-48-2- Standard SMILES
CC(O)(C(=O)O)C(=O)O- InChIKey
LNRVTEQEGXVMEF-UHFFFAOYSA-N- Molecular formula
- C4H6O5
- Average molar mass
- 134.09 g/mol
- Monoisotopic mass
- 134.02152329
Overview
DL-Methyltartronic acid has been reported in Imperata cylindrica with data available.
Names & identifiers
- Preferred name
- Isomalic acid
- IUPAC
- 2-hydroxy-2-methylpropanedioic acid
- English name
- 2-hydroxy-2-methyl-propanedioic acid
- Molecular formula
- C19H19NO3
- Molecular weight
- 309.36
Names & synonyms
Methyltartronic acid2-Hydroxy-2-methylpropanedioic acid595-48-2Isomalic acid2-Hydroxy-2-methylmalonic acid2-Methyltartronic acidTartronic acid, methyl-2-Hydroxy-2-methylmalonateU6K2REG9Q6Hydroxymethylpropanedioic acidPropanedioic acid, hydroxymethyl-hydroxymethylmalonic acid
Show more names
Spiro[1,3-dioxane-2,5'(4'aH)-[7aH-8,9c]iminoethanophenanthro[4,5-bcd]furan] (9CI)
C-METHYLTARTRONIC ACIDEINECS 209-868-7BRN 1766104PROPANEDIOIC ACID, 2-HYDROXY-2-METHYL-3-03-00-00927 (Beilstein Handbook Reference)RefChem:791892Propanedioic acid, hydroxymethyl-(9CI)209-868-7
Database identifiers
- CAS
595-48-2、595-98-2- PubChem CID
- 136386
- DTXSID
DTXSID40208205- UNII
- U6K2REG9Q6
- EC Number
- 209-868-7
- Nikkaji
- J3.647A
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 519.6 · 519.6±50.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 7.09 · 7.09±0.20(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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