Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(1R)-(-)-Menthyl glyoxylate hydrate |
EINECS | -0 |
CAS No. | 26315-61-7 | Density | 1,182 g/cm3 |
PSA | 43.37000 | LogP | 2.18930 |
Solubility | N/A | Melting Point |
76-78 °C |
Formula | C12H22O4 | Boiling Point | 350.5 °C at 760 mmHg |
Molecular Weight | 212.289 | Flash Point | 165.8 °C |
Transport Information | UN 3077 | Appearance | N/A |
Safety | 61 | Risk Codes | 51/53 |
Molecular Structure | Hazard Symbols | R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; | |
Synonyms |
Aceticacid, oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester (9CI);Aceticacid, oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1a,2b,5a)]-;Glyoxylic acid, p-menth-3-yl ester, (1R,3R,4S)-(-)- (8CI);(-)-Menthyl glyoxalate;(-)-Menthyl glyoxylate;(1R,2S,5R)-Menthyl glyoxylate;(R)-(-)-Menthyl glyoxylate;l-(-)-Menthyl glyoxylate;l-Menthyl glyoxylate; |
Article Data | 11 |
The (1R)-(-)-Menthyl glyoxylate hydrate, with the CAS registry number 26315-61-7, is also known as Glyoxylic acid (1R)-menthyl ester hydrate. It belongs to the product category of Chiral. This chemical's molecular formula is C12H22O4 and molecular weight is 230.30. Its systematic name is called (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl oxoacetate hydrate.
Physical properties of (1R)-(-)-Menthyl glyoxylate hydrate: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.26; (6)ACD/BCF (pH 7.4): 27.26; (7)ACD/KOC (pH 5.5): 370.82; (8)ACD/KOC (pH 7.4): 370.82; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 165.8 °C; (13)Enthalpy of Vaporization: 66.56 kJ/mol; (14)Boiling Point: 350.5 °C at 760 mmHg; (15)Vapour Pressure: 5.3E-06 mmHg at 25°C.
Uses of (1R)-(-)-Menthyl glyoxylate hydrate: it can be used to produce hydroxy-(1H-indol-2-yl)-acetic acid 2-isopropyl-5-methyl-cyclohexyl ester at temperature of -78 °C. This reaction is a kind of Carboxylation. It will need reagent n-BuLi, CO2, t-BuLi and solvent tetrahydrofuran, hexane, tetrahydrofuran, hexane, tetrahydrofuran, hexane, toluene with reaction time of 50 min. The yield is about 58%.
When you are using this chemical, please be cautious about it as the following:
It is toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. You should avoid release it to the environment. When you will use it, you can refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C=O.O
(2)InChI: InChI=1/C12H20O3.H2O/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13;/h7-11H,4-6H2,1-3H3;1H2/t9-,10+,11-;/m1./s1
(3)InChIKey: VUSFWFWBNKEYQY-QJQMQQLTBE