CAS:6297-22-9 / methyl 4-oxocyclohexanecarboxylate--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 6297-22-9
methyl 4-oxocyclohexanecarboxylate

Structure
Name: methyl 4-oxocyclohexanecarboxylate
Synonyms:

General Information

Product Number: 6297229

CAS Registry Number: 6297-22-9

Name:

Cyclohexanecarboxylic acid, 4-oxo-, methyl ester

4-(Methoxycarbonyl)cyclohexanone; Methyl 4-ketocyclohexanecarboxylate; Methyl 4-oxocyclohexanecarboxylate; Methyl cyclohexanone-4-carboxylate; NSC 17321

Chemical Formula: C8H12O3

Exact Mass: 156.08

Molecular Weight: 156.18

m/z: 156.08 (100.0%), 157.08 (8.9%)

Elemental Analysis: C, 61.52; H, 7.74; O, 30.73

InChI: InChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6H,2-5H2,1H3

InChIKey: BLYKGTCYDJZLFB-UHFFFAOYSA-N

Canonical SMILES : COC(=O)C1CCC(=O)CC1

Thermal Properties	Value	Condition	Note
Boiling Point	144 °C	Press: 30 Torr	(1)IC
Boiling Point	140 °C	Press: 20 Torr	(2)IC
Boiling Point	125-126 °C	Press: 16 Torr	(3)IC
Boiling Point	96-97 °C	Press: 8.0 Torr	(4)CAS
Boiling Point	94-96 °C	Press: 0.5 Torr	(5)IC
Boiling Point	85-95 °C	Press: 1.2 Torr	(6)IC

Specification

98%

References

(1) Miura, Tohru; EP 240362 A2 1987 CAPLUS
(2) Miura, Tohru; EP 238305 A1 1987 CAPLUS
(3) De Meglio, P.; Farmaco, Edizione Scientifica 1984, V39(12), P1024-37 CAPLUS
(4) Fetizon, Marcel; Compt. Rend. 1962, V254, P3376-8 CAPLUS
(5) Ledford, N. Dale; Organic Preparations and Procedures International 1987, V19(2-3), P209-14 CAPLUS
(6) Hirsch, Jerry A.; Journal of Organic Chemistry 1986, V51(12), P2218-27 CAPLUS
(7) Cregge, Robert J.; US 4748274 A 1988 CAPLUS
(8) Cregge, Robert J.; Journal of Organic Chemistry 1991, V56(5), P1758-63 CAPLUS
(9) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
(10) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
(11) Casabona, Diego; Tetrahedron 2006, V62(42), P10000-10004 CAPLUS
(12) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(13) Kitbunnadaj, Ruengwit; Bioorganic & Medicinal Chemistry 2005, V13(23), P6309-6323 CAPLUS
(14) Gao, Mingzhang; Applied Radiation and Isotopes 2008, V66(4), P523-529 CAPLUS

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