(R)-1-Methyl hydrogen-3-methylglutarate supplier

Name
(R)-1-METHYL HYDROGEN 3-METHYLGLUTARATE
EINECS
CAS No. 63473-60-9
Article Data53
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₇H₁₂O₄
Boiling Point 291.6 °C at 760 mmHg
Molecular Weight 160.17
Flash Point 108.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (3R)-5-methoxy-3-methyl-5-oxopentanoic acid;Pentanedioic acid, 3-methyl-, monomethyl ester,(3R)-;(R)-3-Methylglutaric acid monomethyl ester;(R)-3-Methylpentanedioic acid monomethyl ester;(R)-5-Methoxy-3-methyl-5-oxopentanoic acid;
PSA 63.60000
LogP 0.66030

(R)-1-Methyl hydrogen-3-methylglutarate Specification

The CAS registry number of Pentanedioic acid,3-methyl-,1-methyl ester,(3R)- is 63473-60-9. The systematic name is (3R)-5-Methoxy-3-methyl-5-oxopentanoic acid. In addition, the molecular formula is C₇H₁₂O₄ and molecular weight is 160.17. It should be stored in airtight containers and placed in a dry and cool place.

Physical properties about Pentanedioic acid, 3-methyl-, 1-methyl ester, (3R)- are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.7; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.442; (12)Molar Refractivity: 37.77 cm³; (13)Molar Volume: 142.5 cm³; (14)Polarizability: 14.97×10^-24 cm³; (15)Surface Tension: 38.2 dyne/cm; (16)Density: 1.123 g/cm³; (17)Flash Point: 108.4 °C; (18)Enthalpy of Vaporization: 58.42 kJ/mol; (19)Boiling Point: 291.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000479 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C[C@H](CC(=O)OC)C
(2) InChI: InChI=1/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1
(3) InChIKey: BYBMHSADRRMVHY-RXMQYKEDBT

Product Name

(R)-1-METHYL HYDROGEN 3-METHYLGLUTARATE

(R)-1-Methyl hydrogen-3-methylglutarate Specification

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