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Home> Encyclopedia > Hot Product Listed 1   > 1,3-Acetonedicarboxylic acid
542-05-2 structure

1,3-Acetonedicarboxylic acid

Iupac Name:3-oxopentanedioic acid
CAS No.:542-05-2
EINECS(EC#): 208-797-9
Molecular Weight:146.09814
Molecular Formula:C5H6O5 (isomer)
Properties
Appearance
white to yellowish powder
Density
1.499
Melting Point
133℃
Boiling Point
408.4 oC at 760 mmHg
Flash Point
214.9 oC
Solubility
Soluble in water
HS Code
29183000
Storage temp
2-8°C
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38;R44
Safety Statements
S26;S37/39
Safety

Hazard Codes:?IrritantXi
Risk Statements: 44-36/37/38?
R44: Risk of explosion if heated under confinement.?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26-36?
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S37/39: Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany of 1,3-Acetonedicarboxylic acid (CAS NO.542-05-2): 3

Sensitive
Hygroscopic
Specification

?1,3-Acetonedicarboxylic acid (CAS NO.542-05-2), its Synonyms are 3-Ketoglutaric acid ; 3-Oxoglutaric acid ; 3-Oxopentanedioic acid ; Pentanedioic acid, 3-oxo- . It is white to off-white powder.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:146.09814g/mol
  • Molecular Formula:C5H6O5
  • Exact Mass:146.021523
  • Monoisotopic Mass:146.021523
  • Complexity:153
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:91.7
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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