Pentanedioic acid,3-methyl-,monoethyl ester,(3R)-(9CI) supplier

Name
(R)-1-ETHYL HYDROGEN 3-METHYLGLUTARATE
EINECS
CAS No. 72594-19-5
Density 1.095 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₄
Boiling Point 286.755 °C at 760 mmHg
Molecular Weight 174.197
Flash Point 111.346 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pentanedioicacid, 3-methyl-, monoethyl ester, (R)-;Ethyl hydrogen (R)-3-methylglutarate;(3R)-5-ethoxy-3-methyl-5-oxopentanoic acid;
PSA 63.60000
LogP 1.05040

Pentanedioic acid,3-methyl-,monoethyl ester,(3R)-(9CI) Specification

The CAS registry number of Pentanedioic acid,3-methyl-, monoethyl ester,(3R)-(9Cl) is 72594-19-5. The systematic name is (3R)-5-ethoxy-3-methyl-5-oxopentanoic acid. In addition, the molecular formula is C₈H₁₄O₄ and the molecular weight is 174.19. During using it, you should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). And you should avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 63.6 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 42.41 cm³; (15)Molar Volume: 159.074 cm³; (16)Polarizability: 16.813 ×10^-24cm³; (17)Surface Tension: 37.766 dyne/cm; (18)Density: 1.095 g/cm³; (19)Flash Point: 111.346 °C; (20)Enthalpy of Vaporization: 57.863 kJ/mol; (21)Boiling Point: 286.755 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](CC(=O)OCC)C
(2)InChI: InChI=1/C8H14O4/c1-3-12-8(11)5-6(2)4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1
(3)InChIKey: KAOCDZQOVPLMID-ZCFIWIBFBO

Product Name

(R)-1-ETHYL HYDROGEN 3-METHYLGLUTARATE

Pentanedioic acid,3-methyl-,monoethyl ester,(3R)-(9CI) Specification

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