Dihydroxymalonic acid

HCID 68412CAS 560-27-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(O)(O)C(=O)O
InChIKey
VUCKYGJSXHHQOJ-UHFFFAOYSA-N
Molecular formula
C3H4O6
Average molar mass
136.06 g/mol
Monoisotopic mass
136.00078785

Overview

Dihydroxymalonic acid is this compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. It is a dicarboxylic acid and a 1,1-diol.

Names & identifiers

Preferred name
Dihydroxymalonic acid
IUPAC
2,2-dihydroxypropanedioic acid
English name
Ketomalonic acid monohydrate
Molecular formula
C3H4O6
Molecular weight
136.06

Names & synonyms

Dihydroxymalonic acid560-27-02,2-dihydroxypropanedioic acidPropanedioic acid, dihydroxy-UNII-OT429C180HOT429C180HEINECS 209-208-8MESOXALIC ACID, HYDRATEDTXSID70905078MESOXALIC ACID HYDRATE [MI]PROPANEDIOIC ACID, OXO-, HYDRATEPROPANEDIOIC ACID, 2,2-DIHYDROXY-
Show more names
HYDROXYTARTRONIC ACIDHYDROXYTARTRONIC ACID 99%MESOXALIC ACID MONOHYDRATEOXOMALONIC ACID MONOHYDRATEKetomalonic acid monohydrateMESOXALIC ACID MONOHYDRATE 99%OXOMALONIC ACID MONOHYDRATE 99%KETOMALONIC ACID MONOHYDRATE 99%
RefChem:133995DTXCID501334180209-208-8MESOXALIC ACID HYDRATEVUCKYGJSXHHQOJ-UHFFFAOYSA-N2,2-Dihydroxymalonic acidDihydroxypropanedioic acidsodium 2,2-dihydroxymalonate

Database identifiers

CAS
560-27-0
PubChem CID
68412
DTXSID
DTXSID70905078
ChEBI
CHEBI:143542
UNII
OT429C180H
EC Number
209-208-8
Nikkaji
J96.104C

Properties

Computed structural properties

XLogP
-1.8
Topological polar surface area
115 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
9

Physicochemical properties

Boiling point
474 · 474.0±45.0 °C(Predicted)
Density
2.181 · 2.181±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
pka
1.03 · 1.03±0.36(Predicted)
FDA UNII
429 C180H · OT429C180H
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers7 total

上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
Additional notes · 1 item

DefinitionChEBI: Dihydroxymalonic acid is this compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. It is a dicarboxylic acid and a 1,1-diol.

Related reactions

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