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3-Hydroxy-3-methylpentanedioic acid

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Name

3-Hydroxy-3-methylpentanedioic acid

EINECS 207-971-1
CAS No. 503-49-1 Density 1.417 g/cm3
PSA 94.83000 LogP -0.31320
Solubility N/A Melting Point 105-108 °C(lit.)
Formula C6H10 O5 Boiling Point 354.3 °C at 760 mmHg
Molecular Weight 162.142 Flash Point 182.2 °C
Transport Information N/A Appearance Off-white powder with chunks
Safety Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. Used as an antihyperlipoproteinemic agent. When heated to decomposition it emits acrid smoke and fumes. Risk Codes 36/37/38
Molecular Structure Molecular Structure of 503-49-1 (3-HYDROXY-3-METHYLGLUTARIC ACID) Hazard Symbols Xi
Synonyms

Glutaricacid, 3-hydroxy-3-methyl- (6CI,7CI,8CI); 3-Hydroxy-3-methylglutaric acid;3-Hydroxy-3-methylpentanedioic acid; 3-Methyl-3-hydroxyglutaric acid;3-Methyl-3-hydroxypentanedioic acid; CB 337; Dicrotalic acid; HMG; HMGA;Lipoglutaren; Medroglutaric acid; Meglutol; Mevalon; NSC 361411; b-Hydroxy-b-methylglutaric acid

Article Data 37

3-Hydroxy-3-methylpentanedioic acid Chemical Properties

Molecular Formula: C6H10O5
Molar mass: 162.1406 g/mol
EINECS: 207-971-1
Density: 1.417 g/cm3
Flash Point: 182.2 °C
Index of Refraction: 1.514
Boiling Point: 354.3 °C at 760 mmHg
Vapour Pressure: 1.95E-06 mmHg at 25 °C
Melting point: 105-108 °C(lit.)
Storage temp: -20°C
Product categories of 3-Hydroxy-3-methylpentanedioic acid (CAS NO.503-49-1): Pharmaceutical Raw Materials
Structure of 3-Hydroxy-3-methylpentanedioic acid (CAS NO.503-49-1):
           
XLogP3-AA: -1.2
H-Bond Donor: 3
H-Bond Acceptor: 5
IUPAC Name: 3-Hydroxy-3-methylpentanedioic acid
Canonical SMILES: CC(CC(=O)O)(CC(=O)O)O
InChI: InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) 
InChIKey: NPOAOTPXWNWTSH-UHFFFAOYSA-N

3-Hydroxy-3-methylpentanedioic acid Toxicity Data With Reference

1.    

orl-mus LD50:7330 mg/kg

    DRFUD4    Drugs of the Future. 3 (1978),114.
2.    

ipr-mus LD50:3230 mg/kg

    DRFUD4    Drugs of the Future. 3 (1978),114.

3-Hydroxy-3-methylpentanedioic acid Safety Profile

Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. Used as an antihyperlipoproteinemic agent. When heated to decomposition it emits acrid smoke and fumes.
 

Hazard Codes of 3-Hydroxy-3-methylpentanedioic acid (CAS NO.503-49-1): IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.

3-Hydroxy-3-methylpentanedioic acid Specification

 3-Hydroxy-3-methylpentanedioic acid ,its cas register number is 503-49-1. It also can be called Acide 3-hydroxy-3-méthylpentanedioïque ; Pentanedioic acid, 3-hydroxy-3-methyl- ; b-Hydroxy-b-methylglutaric Acid and 3-Methyl-3-hydroxyglutaric acid .

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