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

Name
MONO-ETHYL (R)-3-ACETOXYGLUTARATE
EINECS
CAS No. 113036-11-6
Article Data2
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point
Formula C₉H₁₄O₆
Boiling Point 300.7 °C at 760 mmHg
Molecular Weight 218.20
Flash Point 111.7 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pentanedioic acid, 3-(acetyloxy)-, monoethyl ester, (3R)-;(3R)-3-Acetoxy-5-ethoxy-5-oxopentanoic acid;(R)-Monoethyl 3-acetoxyglutarate;
PSA 89.90000
LogP 0.34600

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

The Pentanedioic acid,3-(acetyloxy)-, monoethyl ester, (3R)- (9Cl) with CAS registry number of 113036-11-6 is also known as (R)-Monoethyl 3-acetoxyglutarate. The systematic name is (3R)-3-(Acetyloxy)-5-ethoxy-5-oxopentanoic acid. In addition, the formula is C₉H₁₄O₆ and the molecular weight is 218.20. This chemical should be stored in sealed containers in cool, dry place at 2-8 °C. During using it, avoid contact with skin and eyes. What's more, do not breathe gas/fumes/vapour/spray.

Physical properties about Pentanedioic acid,3-(acetyloxy)-, monoethyl ester, (3R)- (9Cl) are: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): -0.39; (3)ACD/LogD (pH 7.4): -2.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.99; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 48.81 cm³; (13)Molar Volume: 179 cm³; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.218 g/cm³; (16)Flash Point: 111.7 °C; (17)Enthalpy of Vaporization: 59.48 kJ/mol; (18)Boiling Point: 300.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00026 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)C[C@@H](OC(=O)C)CC(=O)OCC
2. InChI: InChI=1/C9H14O6/c1-3-14-9(13)5-7(4-8(11)12)15-6(2)10/h7H,3-5H2,1-2H3,(H,11,12)/t7-/m1/s1
3. InChIKey: XTDRHYRKEIVYIN-SSDOTTSWBZ
4. Std. InChI: InChI=1S/C9H14O6/c1-3-14-9(13)5-7(4-8(11)12)15-6(2)10/h7H,3-5H2,1-2H3,(H,11,12)/t7-/m1/s1
5. Std. InChIKey: XTDRHYRKEIVYIN-SSDOTTSWSA-N

Product Name

MONO-ETHYL (R)-3-ACETOXYGLUTARATE

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

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