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| CAS No.: | 503-49-1 |
|---|---|
| Name: | 3-HYDROXY-3-METHYLGLUTARIC ACID |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10 O5 |
| Molecular Weight: | 162.142 |
| 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 |
| EINECS: | 207-971-1 |
| Density: | 1.417 g/cm3 |
| Melting Point: | 105-108 °C(lit.) |
| Boiling Point: | 354.3 °C at 760 mmHg |
| Flash Point: | 182.2 °C |
| Appearance: | Off-white powder with chunks |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| 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. |
| PSA: | 94.83000 |
| LogP: | -0.31320 |
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Chemistry
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
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. |
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): 
Xi
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.
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 .